-boun...@maillist.sys.kth.se on behalf of Justin Lemkul
jalem...@vt.edu
Sent: Wednesday, June 3, 2015 8:58 PM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Questions about the topology file format
On 6/3/15 1:55 PM, Ebert Maximilian wrote:
Hi there,
I have two quick questions about
Hi there,
I have two quick questions about the topology file format which I couldn’t find
in the documentary. The semi-colon is giving me some headache. Is it always a
comment which is written after?
First:
[ atoms ]
; nr type resi res atom cgnr charge mass ; qtot
On 6/3/15 1:55 PM, Ebert Maximilian wrote:
Hi there,
I have two quick questions about the topology file format which I couldn’t find
in the documentary. The semi-colon is giving me some headache. Is it always a
comment which is written after?
First:
[ atoms ]
; nr type resi res atom