[gmx-users] Energy minimization
kgp.amit at gmail.com
Mon Jan 17 09:38:10 CET 2011
Check your log file to see if the minimization criterion was satisfied ie
the max force is less than emtol.
On Mon, Jan 17, 2011 at 12:29 AM, bharat gupta <bharat.85.monu at gmail.com>wrote:
> The potential energy graph is not coming parallel to x-axis is getting down
> towars the x-axis .. normally it should be paralle to x-axis..
> Ph.D. Candidate
> Room No. : 7202A, 2nd Floor
> Biomolecular Engineering Laboratory
> Division of Chemical Engineering and Polymer Science
> Pusan National University
> Busan -609735
> South Korea
> Lab phone no. - +82-51-510-3680, +82-51-583-8343
> Mobile no. - 010-5818-3680
> E-mail : monu46010 at yahoo.com
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users