[gmx-users] ERROR: pressure coupling not enough values (I need 1)

Justin A. Lemkul jalemkul at vt.edu
Fri Jun 12 13:01:28 CEST 2009



Ms. Aswathy S wrote:
> Hi,
> 
> thanks for the help till now..
> 
> Now I got a problem that an equilibration step of 20 ps shows an error as follows when i run grommp.
> 
> ERROR: pressure coupling not enough values (I need 1)
> 
> Please find the md.mdp file that I have used for this step.
> 

You haven't specified ref_p.

-Justin

> 
> thanks,
> Aswathy
> Dept. Biotechnology
> Ext. 3108
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.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

-- 
========================================

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

========================================



More information about the gromacs.org_gmx-users mailing list