[gmx-users] top file question
David van der Spoel
spoel at xray.bmc.uu.se
Thu Jun 10 11:11:55 CEST 2004
On Thu, 2004-06-10 at 08:15, コウ チ wrote:
> hi
> I am trying to do a simulation of pyp(photoactive yellow protein).but i
> can not generate a top file using pdb2gmx. the error message is : HC4 not
> found in residure topology database. how can i deal with it?
pdb2gmx -ignh
>
> caoch
>
> tokyo institute technology
>
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--
David.
________________________________________________________________________
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://xray.bmc.uu.se/~spoel
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