[gmx-users] Phosphotyrosine
David van der Spoel
spoel at xray.bmc.uu.se
Wed Apr 17 22:21:26 CEST 2002
On Wed, 17 Apr 2002, Satyan Sharma wrote:
>Hi all,
>Does anybody has the topology for phosphotyrosine.
>I have tried to make my own and facing a few problems.
>The oxygen (OS) connecting CZ and P is moving out of
You probably need more impropers. If this is part of a protein you will
want to edit the rtp and hdb file for the forcefield of your choice.
--
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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
More information about the gromacs.org_gmx-users
mailing list