[gmx-users] [Fwd: drug modeling environment]

[David]

-----Forwarded Message-----
From: krish k <n2nemail at rediffmail.com>
To: spoel at xray.bmc.uu.se
Cc: gmx_users at gromacs.org, spoel at xray.bmc.uu.sc, spocl at xray.bmc.uu.sc
Subject: drug modeling environment
Date: Tue, 13 Apr 2004 01:22:33 +0000

  
dear research people
can u any one xplain which(polar,nonpolar,vacuum) simulationis the best environment will give the exact idea about the membrane protein with DRUG also tell abt how we can do the protein+ligand in gromacs because when i go the ligand with my protein there grompp shows " atom type not found " how i can include my ligands atom types to gromacs library
i need ur's help ASAP
awaiting for ur reply
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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