[gmx-users] broken protein

[Justin A. Lemkul]

P.R.Anand Narayanan wrote:
> Dear users,
> How will I be able to run a simulation on a protein with 2chains if it 
> is broken.
> I heard that the protein might have been broken which was observed from 
> the failure of energy minimization which ended in just 1 step.
> 

"Broken" is a very generic term for any sort of bad geometry or 
improperly-manipulated coordinates.  If you can provide a more detailed 
description of your system, what you have done to it (complete with actual 
command lines for any Gromacs tools you have used), etc. you're more likely to 
get a useful response.

-Justin

> 
> ------------------------------------------------------------------------
> See the Web's breaking stories, chosen by people like you. Check out 
> Yahoo! Buzz 
> <http://in.rd.yahoo.com/tagline_buzz_1/*http://in.buzz.yahoo.com/>.
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> 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

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