Re: [gmx-users] Questions about the topology file format

2015-06-10 Thread Sotirios Dionysios I. Papadatos
-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

[gmx-users] Questions about the topology file format

2015-06-03 Thread Ebert Maximilian
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

Re: [gmx-users] Questions about the topology file format

2015-06-03 Thread Justin Lemkul
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