[gmx-users] test molecule insertion

[Berk Hess]

Hi,

The molecule you want to insert should be a single charge group.
I guess you have miore than one charge group in the molecule.

I will add a check in the code for this, so you get a more
comprehensible error message.

Berk

> Date: Wed, 3 Dec 2008 12:34:23 +0100
> From: poblete at mpip-mainz.mpg.de
> To: gmx-users at gromacs.org
> Subject: [gmx-users] test molecule insertion
> 
> Hi
> I have trouble inserting molecules for test particle insertion (with 
> atoms there is no problem at all).
> I have defined my conf.gro, topology and index files, but it keeps 
> saying that
> "Number of atoms in trajectory (7000) is not equal the number in the run 
> input file (7005) minus the number of atoms to insert (1)"
> How can I define the number of atoms to insert?
> 
> greets
> 
> s.
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

_________________________________________________________________
Express yourself instantly with MSN Messenger! Download today it's FREE!
http://messenger.msn.click-url.com/go/onm00200471ave/direct/01/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20081203/8949b4c7/attachment.html>