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How to use the forum
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1
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3613
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October 28, 2020
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About the User discussions category
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0
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1980
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April 24, 2020
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Warning: atom name in .top and .gro does not match
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2
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10
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January 23, 2025
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There are 2 perturbed non-bonded pair interactions beyond the pair-list cutoff
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0
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5
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January 23, 2025
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Mdrun/plumed with -update gpu in gmx 2025?
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0
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3
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January 23, 2025
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Energy minimization does not work
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1
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14
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January 23, 2025
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How to perform md simulation on a protein structure which have a ca+ ions
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0
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6
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January 23, 2025
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Topology of an ACE-linked cyclic peptide with a free C-ter
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0
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5
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January 23, 2025
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The first step of energy minimization cannot be carried out
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0
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7
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January 23, 2025
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NPT steps warnings
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0
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7
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January 22, 2025
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Parametrization of DNA Backbone with Alkyl Chain Using CHARM and Non-Integer Charge Issue
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0
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5
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January 22, 2025
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DNA Backbone Parametrization and rtp File
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2
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24
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January 21, 2025
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Gmx rms will not write .dat file
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0
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5
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January 22, 2025
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Gmx mdrun on gpu problem
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0
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6
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January 22, 2025
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About gmx_MMPBSA_test. Why it is not showing gmx_MMPBSA_test command
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1
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26
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January 22, 2025
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Expanded ensemble: Performance impact of perturbing more atoms
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3
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10
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January 22, 2025
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NPT Step Issue with Protein 1QS4 (4 Waters and Mg²⁺ in Active Site)
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4
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24
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January 22, 2025
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Cannot find position restraint file restraint.gro in CHARMM-GUI input files fro GROMACS
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1
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9
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January 22, 2025
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Proper Procedure to generate GROOMAC input files from NMR structure
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2
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22
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January 22, 2025
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What is the proper way of doing Free energy calculations in gromacs?
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1
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18
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January 22, 2025
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A patched or uneven lipid bilayer Symmetric membrane after minimisation (Fmax<100)
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6
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13
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January 22, 2025
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Swissparm prm file
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11
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1060
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January 22, 2025
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No default angle types, no default proper Dih. types
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2
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8
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January 22, 2025
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Getting error as Floating point exception (core dumped) middle main run MD simulation
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1
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15
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January 22, 2025
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Issue while extracting pdb from trajectory
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2
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11
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January 22, 2025
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Hello all please help me for gromacs installation with cuda. I m getting following error
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13
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180
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January 3, 2025
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Small questions about covalent bound ligand
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17
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94
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January 21, 2025
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How to use the charmm36 force field parameters from CGenFF for ligand?
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1
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38
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January 21, 2025
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Position restraints missing when .itp is printed to .top
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2
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23
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January 21, 2025
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How to calculate water mediated interactions?
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3
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463
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January 21, 2025
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