We use ptraj and then naccess and a homemade program to do that.
naccess: http://www.bioinf.manchester.ac.uk/naccess/
Write off-list if you're interested in the program.
On Mon, Oct 20, 2008 at 11:58 AM, Yunierkis Perez Castillo
<Yunierkis.uclv.edu.cu> wrote:
> Hi all
> Is there any way I can keep track of the changes in the SASA of a protein or certain region of a protein along a MD trajectory??
> I have looked in the ptraj manual but there is no command to performs such calculation.
> Thanks in advance for any help.
> Yunierkis
>
> Servicio de Correos de la Universidad Central "Marta Abreu" de Las Villas. http://www.uclv.edu.cu
> -VI Conferencia Internacional de Ciencias Empresariales, del 16 al 18 de octubre de 2008, Cayo Santa Mar?a, Cuba. http://economia-publica.uab.es/VIcubaCICE.doc
> -V Conferencia Cient?fica Internacional de Ingenier?a Mec?nica, COMEC 2008, del 4 al 6 de noviembre de 2008, UCLV, Cuba. http://eventos.fim.uclv.edu.cu/comec
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--
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Wed Oct 22 2008 - 05:07:53 PDT
