[gmx-users] Bilayers [more information]
Osmany Guirola Cruz
osmany.guirola at cigb.edu.cu
Tue May 27 15:21:02 CEST 2003
I need do MD simulations of peptides that penetrate membranes.
i don't have any idea of how make a membrane(HELP) but i found in
Internet this site http://moose.bio.ucalgary.ca/. in this site i found PDBs
of membranes. I convert this PDBs to GRO(whitout peptide) format and obtain
the TOP file, then I try to make a simulation just to see the membrane in
"action"(testing) and i found this error
Fatal error: ci = -2147483648 should be in 0 .. 2743 [FILE nsgrid.c, LINE
I need help whith "all necesary steps to do a PERFECT simulation of membranes"
and if it is posible how to make my own membrane and insert the peptide.
Where can i find this information "IF exists"
On Tuesday 27 May 2003 03:04, David van der Spoel wrote:
> On Mon, 2003-05-26 at 21:53, Osmany Guirola Cruz wrote:
> > I'am doing MD simulations for my job and i need help
> > with bilayers ?Where can i find some HELP orTUTORIAL?
> > I found in INTERNET a site with a lot of PDBs with bilayers
> > but i don't know how to use it. when i do a simulation BOOM
> > i have an error like this
> > Fatal error: ci = -2147483648 should be in 0 .. 2743 [FILE nsgrid.c, LINE
> > 210] What can i do?
> > I need help...............................
> please give more information.
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