Dear All, > I am using OPLSAA forcefield for generating methanol solvent > box. The methanol.pdb/methnaol216.gro that is available in XXXX/tutor > directory of gromacs is for united atom. Please tell me where I can get the > methanol coordinates for All Atom. Can I use *.gro file that can be got from > PRODRG server. > > Thank you. > > Yours Sincerely, > > Ravi Kumar Venkatraman, > Ph.D., IPC Dept., > IISc, INDIA. >
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