[gmx-users] Solvate a box with a non water
spoel at xray.bmc.uu.se
Wed Aug 18 08:13:11 CEST 2004
On Tue, 2004-08-17 at 22:00, Tandia, Adama wrote:
> Dear ALL:
> I would like to fill up randomly a box with N molecules of DPPC and solvate
> the newly created box with a solvent of type B.
> How can I do that with GROMACS?
> I used genbox to create a dppc solute, a B solvent and solvate the dppc box, but I have
> A Segmentation Fault message when I run mdrun.
> Can somebody help me with this?
I just sent a reply to a very similar question to the list yesterday.
Such SEGVs are usually due to a bad starting structure. Check your
coordinates (and that mail from yesterday).
> Thanks a lot in advance.
> Adama Tandia
> Modeling & Simulation
> Corning INC
> Corning, NY 14831 USA
> Tel: 607 248 1036
> Fax: 607 974 3405
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
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
More information about the gromacs.org_gmx-users