Re: [gmx-users] Test Particle Insertion Problem-Gromacs 4.0.3

YH wrote: > Dear Dr. Saavedra, > > I would like to ask your help for my use of Gromacs. > Now I run the Gromacs 4.05 on 16 node computer, but always meet the problems > like the following. > Would you please tell me how to sovle it. > > Thank you very much in advanc, > > James, Wang(Dr.) > Da

RE: [gmx-users] Test Particle Insertion Problem-Gromacs 4.0.3

cules that are small enough to fit into spontaneously occurring cavities. Berk > Date: Fri, 15 May 2009 07:50:52 +1000 > From: mark.abra...@anu.edu.au > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] Test Particle Insertion Problem-Gromacs 4.0.3 > > Harry Saavedra wrote: &

RE: [gmx-users] Test Particle Insertion Problem-Gromacs 4.0.3

ously occurring cavities. Berk > Date: Fri, 15 May 2009 07:50:52 +1000 > From: mark.abra...@anu.edu.au > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] Test Particle Insertion Problem-Gromacs 4.0.3 > > Harry Saavedra wrote: > > Dear All, > > > > I run a

Re: [gmx-users] Test Particle Insertion Problem-Gromacs 4.0.3

Harry Saavedra wrote: Dear All, I run a test molecule insertion simulation using Gromacs 4.0.3. All the molecules of the system work with two energy groups (two tabulated potentials), and every atom belongs to a different charge group; but Gromacs shows an error message: > grompp... > mdr