[gmx-users] Group virial

[David]

On Thu, 2003-08-14 at 20:42, Pedro Alexandre Lapido Loureiro wrote:
> Dear gmx users,
> 
> I want to calculate the virial of a group of atoms.
> One way would be to rerun the trajectory using a input .tpr and .xtc file that
> contains only the group of interest, SOL for instance.
> I have used tpbconv to create a SOL.tpr and trjconv to create a SOL.xtc.
> The problem is that mdrun -rerun crashes with segmentation fault.
> Does anybody know why?
tpr might be incorrect. try creating one manually.


> 
> Regards,
> 
> Pedro.
> 
> --
> Pedro Alexandre Lapido Loureiro
> Laboratório de Física Biológica
> Instituto de Biofísica
> UFRJ
> Brasil 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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://xray.bmc.uu.se/~spoel
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