[gmx-users] genion: -pot fails to produce .pdb file

Madhuri Agashe magashe at CLEMSON.EDU
Mon Feb 2 03:31:01 CET 2004


I am using the genion command to replace few solvent atoms by Na and Cl
ions.
I want this command to also generate a .pdb output file in addition to the
.gro file. Hence I specified the -pot option, but no .pdb file was created.

I have used this command before and it has worked successfully.

There have been no changes in parameters. The system comprises of a self
assembled monolayer surface of methyl and a protein segment at a distance of
5Au from the surface.

Why should this happen??
-Madhuri






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