[gmx-users] implicit solvent

Marc Baaden baaden at smplinux.de
Wed Nov 6 18:18:28 CET 2002

feenstra at chem.vu.nl said:
>> Is there any preliminary version already available somewhere that we
>> could already use for testing purposes? 

feenstra at chem.vu.nl said:
>> We'd like at least to have a look at that. Could we get access to it? 

I would like to strongly back that up (at least concerning the
implicit solvent part).

BTW, I think Vibin Ramakrishanan from India is also working on an
implementation of implicit solvent models. See a quote from a 
message he sent me in August:

vinu at btc.iitb.ac.in said:
>> By the way, based on the procedure i have earlier mentioned for
>> implicit solvent, we could make a code which calculates solvent
>> accessible suface area(SASA), and gives an energy output corresponding
>> to the solvent exposure of the atoms in a given structure. But the
>> code is yet to be validated and tested. Infact we finished it only day
>> before yesterday. I will get back to you with the progress soon.


 Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
 mailto:baaden at smplinux.de  - ICQ# 11466242 -  http://www.marc-baaden.de
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