AMBER Archive (2002)

Subject: CHARMm NPT input files

From: Mahadevan Seetharaman (maha_at_vwl.medc.umn.edu)
Date: Sat Dec 07 2002 - 17:39:07 CST

Hi All,

I know this is a wierd request, but... by any chance does anyone have
CHARMm input files for NPT equilibration and production run.

I have just run a NPT amber simulation on a RNA hairpin moleculeand wanted
to try the same with CHARMm. If anyone can share their CHARMm input files
I would greatly appreciate it.

I did try to do it on my own, but I am goofing on some parameter, the
water box is getting stretched along an axis as the simulation pregresses.

Thanx in advance,
Mahadevan