[gmx-users] a pdb2gmx problem for NON aminoacids
David van der Spoel
spoel at xray.bmc.uu.se
Thu Nov 29 10:06:46 CET 2001
On Thu, 29 Nov 2001, Markus O Kaukonen wrote:
>
>Hi,
>I generated by hand a rather poor starting guess for CH3CH2OH
prodrg server will give you the topology with united atoms
http://davapc1.bioch.dundee.ac.uk/programs/prodrg/prodrg.html
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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