AMBER Archive (2000)

Subject: Profec

From: wentaofu (wentaofu_at_uic.edu)
Date: Mon Jul 24 2000 - 17:37:17 CDT

Hi,

I have a problem on running profec on amber. We are using amber6.0. Since
there is no makeGrid command in amber6.0, I guess the command profec_grid
will do the same job as that of makeGrid. But, the similar input format as
suggested on the manual of amber6.0 seems isn't work. Here, we use:

cat <traj> | profec_grid <in> <top> <crd> <ljp> <vdw> <esp> <obj> <sav>

Would you please let me know what's wrong or give me an example of how to use
profec_grid.

Also, we would like to know how to visulizate the output of profec other than
using MidasPlus.

Thanks in advance!

Wentao Fu
College of Pharmacy
University of Illinois at Chicago