David van der Spoel
spoel at xray.bmc.uu.se
Wed Aug 25 08:57:00 CEST 2004
On Wed, 2004-08-25 at 01:55, Dinesh Pinisetty wrote:
> Hello everybody,
> I have created a DPPC bilayer and now I do not get the error as
> "segmentation fault" if I am trying to do Energy Minimization.
> Now I just want to know if there is any simple test to check out
> wether the structure I obtained is correct.I have created 48 lipids on a
> single monolayer,i.e. I have 96 DPPC molecules overall in the system.Are
> there any calculations to be performed and check out any standard values?
> Thanks a lot in advance.........
gmxcheck -c will check for atoms that are too close.
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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://xray.bmc.uu.se/~spoel
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