----- Original Message ----- From: nanogroup <nanogr...@ymail.com> Date: Wednesday, July 7, 2010 18:16 Subject: [gmx-users] No such moleculetype SOL To: gmx-users-requ...@gromacs.org Cc: gmx-users@gromacs.org
----------------------------------------------------------- | > Dear GMX Users, > > I solve sample in the water, but when I run GROMPP, this error appeares: > > Fatal error: > No such moleculetype SOL > > Without water, the grompp was done. So you haven't solvated properly, because you have added solvent coordinates, but have no solvent [moleculetype] present in your .top. However, since you haven't provided any details about how you were trying to solvate, you have made it hard to help you. Mark | -----------------------------------------------------------
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