Please, see my suggestions on
http://enzyme.fbb.msu.ru/Tutorials/Tutorial_2/Sec_1.htm
If you have .prep file instead of .lib, use "loadamberprep" command
instead of "loadoff".
On Wed, Feb 16, 2011 at 12:50 PM, Aditya Padhi <adi.uoh.gmail.com> wrote:
> Hi Amber Users,
> I want to do the simulation of a protein that has NADPH in it. I want to
> know how I can use the parameter file from the amber parameter database (
> http://www.pharmacy.manchester.ac.uk/bryce/amber) and do the corresponding
> molecular dynamics simulation.
> If anyone can assist me how to start with the help of any tutorial or
> script It would be really grateful.
>
> Thanking you.
> Aditya.
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Dmitry Nilov,
Faculty of Bioengineering and Bioinformatics,
Lomonosov Moscow State University
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Feb 16 2011 - 02:30:02 PST
