[gmx-users] Problem sasa 3.2.1 vs 3.3.2
acb15885 at uprm.edu
Thu Sep 18 15:39:12 CEST 2008
Recently I run a simulation of a protein in DMSO with GROMACS 3.2.1. I make
the analysis with GROMACS 3.3.2 and GROMACS 3.2.1 . When I do the sasa
analysis I observe differences in the sasa values between the two versions.
The total sasa seems to be same in the two graphs but the hydrophobic and
hydrophilic looks very different (see attached pictures).
What could be the problem? Which version will be the best for analysis?
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