[gmx-users] segmentation fault
gmx3 at hotmail.com
Tue Aug 17 10:22:53 CEST 2004
>From: Dinesh Pinisetty <dpinis1 at lsu.edu>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>Subject: Re: [gmx-users] segmentation fault
>Date: Mon, 16 Aug 2004 11:38:44 -0500
> Could anyone check out the mdp file which I am sending,When I am running
>grompp I am not getting any errors or Warnings except one related to 1 atom
>name which I think is very minor(It syas that its taking atom name of
>topol.top into accout instead of a mismatch found in .gro file).
> I really appreciated any help extended...........
0.5 nm for rcoulomb and rlist is far too short.
You probably want to have all cut-off's, including rvdw at 0.9.
The same problem came up in the "pme + barostat" mails
a few days ago.
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