[gmx-users] Regarding OPLSAA

2011-09-29 Thread Ravi Kumar Venkatraman
Dear All, I am using OPLSAA forcefield for generating methanol solvent box. The methanol.pdb/methnaol216.gro that is available in /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

Re: [gmx-users] Regarding OPLSAA

2011-09-29 Thread Justin A. Lemkul
Ravi Kumar Venkatraman wrote: Dear All, I am using OPLSAA forcefield for generating methanol solvent box. The methanol.pdb/methnaol216.gro that is available in /tutor directory of gromacs is for united atom. Please tell me where I can get the methanol