[gmx-users] Fatal error: Atomtype 'OS' not found!
yunfeng at scripps.edu
Thu Oct 7 19:47:41 CEST 2004
Thank you, David. I have solved the problem by using ffgmx for the
protein. It is clear to me now that prodrg generates the topology file
in ffgmx fashion only.
Date: Thu, 07 Oct 2004 09:08:00 +0200
From: David van der Spoel <spoel at xray.bmc.uu.se>
Subject: Re: [gmx-users] Fatal error: Atomtype 'OS' not found!
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Message-ID: <1097132880.14913.11.camel at vangogh.bmc.uu.se>
On Thu, 2004-10-07 at 00:27, Yunfeng Hu wrote:
> However, everything is fine if cocaine.itp alone without protein is
> used in the simulation. Here is what it looks like:
ffG43a1 has no atomtype OS. So this itp file can not work with that ff.
Check earlier discussions of prodrg and ffG43 on the list.
More information about the gromacs.org_gmx-users