[gmx-users] about rtp file
spoel at xray.bmc.uu.se
Mon Nov 18 07:31:54 CET 2002
On Mon, 2002-11-18 at 07:29, 吴显辉 wrote:
> Hi, gmx-users,
> I am a novice in Gromacs. There are some troubles in creating rtp files for a ester,would you give me some advice? I do not know how to create improper dihedrals, dihedrals. Is there a software to do it?Or there is no choice except for manual doing.If I have to create rtp file by hand,would you give me some advice?
You have to do it manually. Check the manual for definitions...
> Xianhui Wu
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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