[gmx-users] GB/SA terms per-residue/domain decomposition

boaz inbal tbinbal at gmail.com
Fri Apr 8 10:01:48 CEST 2011

Dear all,

I would like to ask whether it is possible to decompose the GB/SA
contributions of an implicit solvent md run in a per-residue/domain basis
(like the LJ and Coloubic terms)?
I haven't seen these terms decomposed in the md.edr output file.

Thank you,

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