[gmx-users] list of protein parameters/ properties

Tsjerk Wassenaar tsjerkw at gmail.com
Wed Nov 16 22:05:09 CET 2005

Hi Gaurav,

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.).



On 11/16/05, gaurav gupta <gaurav.cgupta at gmail.com> wrote:
> hi,
>  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
> --
> "gaurav gupta"
> M.TECH( B.P.T),
> U.I.C.T, Matunga,Mumbai
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.


Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
Nijenborgh 4
9747AG Groningen, The Netherlands
+31 50 363 4336
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051116/96c143b8/attachment.html>

More information about the gromacs.org_gmx-users mailing list