[gmx-users] Water model => amber port to gromacs

Chih-Ying Lin chihying2008 at gmail.com
Fri Nov 7 19:26:44 CET 2008


HI
Here are the links.
 Water model => amber port to gromacs

http://www.gromacs.org/pipermail/gmx-users/2007-June/027817.html

http://www.gromacs.org/pipermail/gmx-users/2007-June/027823.html

http://www.gromacs.org/pipermail/gmx-users/2007-June/027840.html


 The two steps are shown on the above links.
 1. #include ffamber_tip*p    in the .top file
 2. include an #ifdef_FF_AMBER statement in tip*p.itp

Should I also #include ffamber99.itp in the .top file?


Thank you
Lin






Chih-Ying Lin wrote:
> Hi
> Water model => amber port to gromacs
>
> The two steps are shown on the archive.
> 1. #include ffamber_tip*p    in the .top file
> 2. include an #ifdef_FF_AMBER statement in tip*p.itp

If you want others' opinions for free, please provide links - and test
them first to see that you've linked to the content, and not some
wrapper page/frame! :-)

> Should I also #include ffamber99.tip in the .top file?

"tip" does not equal "itp" :-)

Mark



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