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 manually). With Thanks Vivek
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