[gmx-users] ffamber_chcl3.gro

[Justin A. Lemkul]

Quoting Mauro Puppett <esagono at hotmail.com>:

>
> Hi all,
> I have to run a simulation in a box of chloroform.
> I've found a chcl3.itp and a chcl3_box.gro files but I'm using ffamber99
> forcefield.
> Is it possible to modify someway the two files above? Where can I find the
> informations to do that?

http://wiki.gromacs.org/index.php/Parameterization

> Thanks in advance
>
>
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/

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