[gmx-users] system is exploding

[Itamar Kass]

Try some energy minimization after the insertion of the ion, or try some NVT md
steps.
 Cheers, Itamar.

Quoting taveechai taveecharoenkool <taweehui at yahoo.com>:

>
> dear all,
>  i have system contains proteins in hydrated popc
> bilayers. these proteins have a pore in the middle. i
> put one ion in the middle of the pore and then run md
> but at the step around 10,000 there are warning "
> system is exploding".  However, i ran this system
> (without ion) in 5ns and it doesn't have warnings.
> After i put ion , there are warning . How to do.
> thank you.
>
>
>
>
>
>
> __________________________________
> Yahoo! Mail - PC Magazine Editors' Choice 2005
> http://mail.yahoo.com
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
>




===========================================
| Itamar Kass
| The Alexander Silberman
| Institute of Life Sciences
| Department of Biological Chemistry
| The Hebrew University, Givat-Ram
| Jerusalem, 91904, Israel
| Tel: +972-(0)2-6585194
| Fax: +972-(0)2-6584329
| Email: ikass at cc.huji.ac.il
| Net: http://www.ls.huji.ac.il/~membranelab/itamar/itamar_homepage.html
============================================

----------------------------------------------------------------
This message was sent using IMP, the Internet Messaging Program.