GROMACS forums
Umbrella Sampling via Gromacs
User discussions
mdrun
MagnusL
July 6, 2024, 12:07pm
9
Sorry, my mistake. Try
direction-periodic
instead of
direction
.
Pull-coord1-geometry = direction vs pull-coord1-geometry = direction-periodic
show post in topic
Related topics
Topic
Replies
Views
Activity
Problem encountered when running the Umbrella sampling tutorial by Justin
User discussions
5
663
May 1, 2023
ERROR 1 [file topol_Protein_chain_a.itp, line 22]: moleculetype Protein_chain_a is redefined
User discussions
mdp-parameters
,
mdrun
0
453
July 7, 2022
Gmx grompp error
User discussions
mdrun
1
1175
September 19, 2022
Error with "gmx grompp -f minim.mdp -c dmpc_npat.pdb -p topol_dmpc.top -o dmpc.tpr" command
User discussions
grompp
4
500
April 26, 2023
Error while running a pull in umbrella sampling
User discussions
umbrella-sampling
6
51
August 20, 2024