[gmx-users] Force field error
swapnilbhujbal18 at gmail.com
Mon Mar 4 14:12:49 CET 2019
I'm performing ligand-protein simulation. My protein has phosphothreonine
and phosphoserine residues. So I have cheched this forum and accordingly I
have downloaded Charm36 force field November 2018 (
http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs) and kept in my
installation directory (/usr/local/gromacs/share/gromacs/top). Upon hitting
pdb2gmx, I can see the downloaded force field for phosphorylated residues;
"Charm36" in the list, but after selecting this force field I got the
*Fatal error:Residue 'TPO' not found in residue topology database*
Please help me to solve this problem.
Thank you in advance.
Mr. Swapnil Bhujbal
School of Medicine,
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