[gmx-users] Error with "grompp"

[Justin Lemkul]

On 10/6/12 2:30 PM, Elie M wrote:
>
> Yeah sorry about that. i thought about it at the moment I was sending the e-mail..The problem I am so desperate about getting all files correct to minimize my polymer. It has really taken a long time. Anyhow you were right. Switching the order did not do anything; the error is still there. Now it is a bit weird because the bond is there in the file then why it cannot find it? Any suggestions?
>

I will attempt to debug this.  Please send me (off-list):

1. Your coordinate file
2. Your topology
3. The .mdp file you are using
4. The force field files

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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