[gmx-users] why the mdrun stop

Itamar Kass ikass at cc.huji.ac.il
Fri Sep 8 11:50:36 CEST 2006


You did not mention if you did energy minimization or other preliminary steps
before your MD. If not, this might solve the problem.


Quoting zzhwise1 <zzhwise1 at 163.com>:

> hello ,everyone
>   I have two problems:
> (1)my model is compost of 36 long chain of CH3(CH2)14COOH  ,and use the
> frocefiled of ffgmx,
> but the mdrun can only going to the 2th step,and the some chains change large
> (2)can this program do the nanotribology of   monolayer?
> thanks advanced!
> wait for your answer!
>                     your friend

| 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

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