<br>Hi Gaurav,<br><br>Look in the Gromacs manual where all the programs are explained. This gives plenty of ways to describe a protein (radius of gyration, dipole, hydrogen bonds, secondary structure, dipole, solvent accessible surface, etc.).
<br><br>Cheers,<br><br>Tsjerk<br><br><div><span class="gmail_quote">On 11/16/05, <b class="gmail_sendername">gaurav gupta</b> <<a href="mailto:gaurav.cgupta@gmail.com">gaurav.cgupta@gmail.com</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
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<div>hi,</div>
<div> i am a recent user of gromacs and was introduced to it by the person who was using it for organic mol modelling.</div>
<div>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.
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<div> my research topic is totally depend on this calculation so i need a software which can help m to deal with proteins.</div>
<div>thank you waiting for an early response</div><span class="sg"><br>-- <br>"gaurav gupta"<br>M.TECH( B.P.T),<br>U.I.C.T, Matunga,Mumbai<br>
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