[gmx-users] adding atom types

David spoel at xray.bmc.uu.se
Thu May 15 19:03:01 CEST 2003


On Thu, 2003-05-15 at 18:22, Vivek Raut wrote:
> i am recently introduced to gromacs. the syatem i am simulating used 
> modified methyl molecule, which i previously created in InsightII. how can 
> i define the same molecule now in Gromacs?
See chapter 5 in the manual and/or provide more information.
> 
> -------------------------------------------------------------------------------------------------------------------------------------------
> Vivek Raut
> Graduate Research Assistant
> Department of Bioengineering
> Clemson University
> Clemson, SC- 29631. USA
> Email: vraut at clemson.edu
> Phone: 864-650-1431
> --------------------------------------------------------------------------------------------------------------------------------------------
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
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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