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

David spoel at xray.bmc.uu.se
Tue Apr 13 08:28:01 CEST 2004

-----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 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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