[gmx-users] Is .mdp file are same for each force field?
cbb.chintan at gmail.com
Sun Feb 12 13:47:20 CET 2017
Dear gromacs user,
I practiced of MD stimulation with LysoZyme tutorial. Now, They used 15:
OPLS-AA/L force field and also i saved all *.mdp* file (ions. mdp, md.mdp,
nvt.mdp, npt.mdp, minim.mdp, etc.) as given in tutorial and successfully
performed MD stimulation.
Now, I have want to study my protein. I found force field 9 to 14 are
reported for my protein in literature. Further, I also tried it and found
"Residue 'ZN' not found in residue topology database" only for force field
15 (OPLS-AA/L force field), not for any other force field (9 to 14).
*Now, I have two questions.*
*1) Can i use this file for stimulation study with other force field (9 to
14)? If not, from where i get them?*
*2) Also want to study MD at higher temperature, still Can i use tutorial
.mdp files? or what informations i have to change in files (.mdp)*
Can any one tell me what to do?
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