[gmx-users] Re: how to turn off the interamolecular interaction

xianghong qi xianghong001 at gmail.com
Wed Nov 19 09:54:03 CET 2008


Thanks, Mark.
-Xianghong Qi

On Wed, Nov 19, 2008 at 3:46 AM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> xianghong qi wrote:
>
>> Hi, Mark:
>>  for these two cases
>> energygrp_excl           = Methane1 Methane2
>> and  energygrp_excl           = methane1 methane2
>>  I got same error: methane1(or Methane1 ) is not energy group.
>>
>
> OK, so now that it's a group, you need it to be an energy group - see
> energygrps.
>
>
> Mark
> _______________________________________________
> 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
>



-- 
Some people make the world more special just by being in it.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20081119/bb0de09f/attachment.html>


More information about the gromacs.org_gmx-users mailing list