[gmx-users] list of protein parameters/ properties
gaurav.cgupta at gmail.com
Wed Nov 16 18:15:54 CET 2005
i am a recent user of gromacs and was introduced to it by the person who
was using it for organic mol modelling.
i am working on protein molecule and interested in finding the properties
related to the structure of a protein mol..like dielectric constant,
radius,pKa ,surface tension ..etc..I would like to know the list of
descriptors related to protein which can be calculated using PDB file..i
would appreciate if the help is given along with an example.
my research topic is totally depend on this calculation so i need a
software which can help m to deal with proteins.
thank you waiting for an early response
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