[gmx-users] Re: Something about getting started

Justin A. Lemkul jalemkul at vt.edu
Tue Aug 25 03:38:27 CEST 2009

DreamCatcher wrote:
> Dear Justin,
>         I did make the rtp and hdb files in accordance with the tutorial 
> onthe website 
> <http://oldwww.gromacs.org/pipermail/gmx-users/2009-March/040125.html>http://oldwww.gromacs.org/pipermail/gmx-users/2009-March/040125.html 
> <http://oldwww.gromacs.org/pipermail/gmx-users/2009-March/040125.html,but>,but 
> the problem cann't be settle,what can I do?

The [atoms] sections you presented are incorrect.  They lack both charge and 
charge group information.

>        Looking forward for your reply!
>        Thanks,
> dreamcatcher

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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