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AMBER Archive (2005)Subject: RE: AMBER: solvent accessible surface area
From: John (john.dalmaris_at_imperial.ac.uk)
I guess Molsurf calculates solvent excluding surface and not accessible
-----Original Message-----
Hello,
I am calculating the SASA of linear alkanes. I prepared all relevant files
For example for the CH4 Molsurf (Amber8) gives 47.1 (only minor changes when
The literature (J.Phys.Chem B, 104, 2000, 6275) gives 141.2 (using the
Using the VEGA software (J. Comput. Chem, Vol. 16 N3, 273-284, 1995) I get
Any comment on that would be very helpful.
Regards,
John
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