[gmx-users] V(R) around protein
Mark.Abraham at anu.edu.au
Tue Sep 13 01:31:27 CEST 2011
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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