[gmx-users] why the mdrun stop

[David van der Spoel]

zzhwise1 wrote:
>  
> 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!


check your starting structure. start with one molecule, minimize, do MD 
and then go to 36 molecules.

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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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