[gmx-users] Re: Only Ligand(Without Receptor) MD Simulation with solvent(other than water.)

Dear Justin thanks for your email. I have tried those you mentioned in your email. I have submitted molecule of interest in PRODRG and got a DRG.itp or DRG.pdb file. I fired command pdb2gmx using DRG.pdb (obtained from PRODRG) using Gromos96 43a1 force field , but I received the follwoing fatel

[gmx-users] Only Ligand(Without Receptor) MD Simulation with solvent(other than water.)

Dearall, I know little bit Gromacs. I want to do MD simulation of Ligand(Without receptor) and also want use solvent like dmso,methanol. Can anyone suggest me How I can do this ? Thanks in advance. Thanks and Regards, HARESH AJANI -- View this message in context: http://gromacs.5086