[gmx-users] V(R) around protein
E. Nihal Korkmaz
enihalkorkmaz at gmail.com
Tue Sep 13 01:42:08 CEST 2011
R is any distance from the surface of the protein.
On Mon, Sep 12, 2011 at 6:31 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:
> On 13/09/2011 9:29 AM, E. Nihal Korkmaz wrote:
>> Dear all,
>> Is there any function to get the Volume around a peptide/protein as a
>> function of R?
>> The problem is g_rdf -surf doesn't have a volume correction factor, so my
>> aim is to apply a volume correction factor manually by having V(R) around
>> the protein.
> You haven't said what R is, but g_sas will calculate some volumes.
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Elif Nihal Korkmaz
University of Wisconsin - Biophysics
Member of Qiang Cui & Thomas Record Labs
1101 University Ave, Rm. 8359
Madison, WI 53706
Email: korkmaz at wisc.edu
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