[gmx-users] Forcefield to choose

vivek sharma viveksharma.iitb at gmail.com
Fri Sep 5 14:54:38 CEST 2008

Hi everybody,
I am running MDS for protein molecule using GROMACS, but I am not sure of
which forcefield I should use.
Can anybody suggest me the criteria for choosing forcefield ?

Also, I am using drug-enzyme tutorial by John E. Kerrigan titled "GROMACS
Tutorial for Drug – Enzyme Complex." where it is suggested to use PRODRG
server for residues whose entry is not available in .rtp. In this tutorial
it is suggested to edit the .gro and .top file manually, Can anybody suggest
any other way (may be some tool or command) of doing such editing (not

With Thanks
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