you can generate parameters for nicotine using antechamber which will
create ".frcmod" file (force field modification file) and a .prepin file or
you can make a library file using these. Then you can easily save the
parameters. Make sure that valency is satisfied for nicotine before
starting antechamber. There is a very good tutorial for antechamber.
On 4 February 2015 at 15:37, Harmeet Kaur <meet.academia.gmail.com> wrote:
> Dear Amber users,
>
> I could not save parameter file because my system has nicotine in it.
> Kindly suggest how to go about it. Fyi, I am using Amber 14.
> Thanks in advance
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Feb 04 2015 - 02:30:04 PST
