[gmx-users] Re: genbox generating acetonitrile box with holes

Tsjerk Wassenaar tsjerkw at gmail.com
Sat Nov 6 21:08:52 CET 2010

Hi Diana,

Yeah, my reply was a bit off, as Vitaly had already pointed out. Lazy
reading, sorry. But are these holes created by genbox, or are they already
present in the acn solven box? Have you already checked all intermediate



On Nov 6, 2010 7:25 PM, "Diana Lousa" <dlousa at itqb.unl.pt> wrote:


No, the hole don't correspond to parts of the protein sticking out on the
other side. The protein is in the center of the box and the holes are not
due to pbc issues.


On Fri, Nov 5, 2010 at 10:10 PM, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:

> > > Hey, > > Do the holes match the parts of the protein sticking out on
> the other side? > > Tsjerk ...
> --
> > gmx-users mailing list    gmx-users at gromacs.org >
> http://lists.gromacs.org/mailman/listinfo/gmx-u...


Diana Lousa PhD student Protein Modeling Laboratory ITQB/UNL Oeiras,

gmx-users mailing list    gmx-users at gromacs.org
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-request at gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101106/138f4b5a/attachment.html>

More information about the gromacs.org_gmx-users mailing list