[gmx-users] Re: genbox generating acetonitrile box with holes
vvchaban at gmail.com
Sat Nov 6 21:31:16 CET 2010
Holes... Holes... What is the size of these holes? Use g_density,
g_rdf, make plots, observe peaks...
> 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 ...
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