[gmx-users] Making small molecule topology files

[David van der Spoel]

Arthur Roberts wrote:
> Hi, all,
> 
>      I would like to make a small molecule using the
> OPLSAA force field.  Is there a simple way to do it
> (i.e. a program that makes the topology file) or do I
> have to manually type the OPLSAA topology file?

you can use prodrg for a start, or use the x2top version that is in 3.3 cvs.
> 
> Thank you in advance,
> Art
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
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://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++