GROMACS forums
Include 9AZR force field residue for ATB automatically generated pdb file
User discussions
forcefield
,
pdb2gmx
jalemkul
April 19, 2021, 2:52pm
21
tc-grps = System
, like I said above.
← previous page
Related topics
Topic
Replies
Views
Activity
Atom not in the rtp entry reported not to be found in the input file
User discussions
pdb2gmx
,
forcefield
3
1774
March 23, 2021
New residue top
User discussions
pdb2gmx
,
forcefield
,
simulation-setup
25
2270
August 18, 2022
Atom OXT in residue DG 1 was not found in rtp entry DG5 with 31 atoms while sorting atoms
User discussions
43
9424
November 13, 2023
Residue mapped into topology database but atom name not found in file?
User discussions
10
5659
March 26, 2023
Source file: src/gromacs/gmxpreprocess/pdb2gmx.cpp Fatal error Glucid Topology
User discussions
8
27
October 3, 2024