[gmx-users] termini database

David van der Spoel spoel at xray.bmc.uu.se
Wed Jun 14 18:00:50 CEST 2006

Debashis Dutta wrote:
> Hi all,         can anyone tell me the command to generate a chain of 
> amino acids using the exisiting database in gromacs? Also, how can we 
> add the terminal NH3+ and COO- groups using the termini database.
please make your question more clear.

do you want to generate coordinates? in that case use pymol.
for topology use pdb2gmx.

> Thanks
> Debashis
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David van der Spoel, PhD, Assoc. 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://folding.bmc.uu.se

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