AMBER Archive (2003)

Subject: MM_pbsa prmtop file

From: wentaofu (wentaofu_at_uic.edu)
Date: Thu Jan 09 2003 - 17:29:38 CST

Hi, amber users.

I have a question about the old prmtop format used in Amber6.0. I plan to use
some old MD simulation results on Amber6.0 and do MM_pbsa calculation on
amber7.0. The message I got from Amber7.0 is

" GB calculations now require a new-style prmtop file"

Would you please let me know what should I do? I don't plan to run the MD
simulation again. Is it possible to just generate the new-style prmtop file
and do the MM_pbsa using the current MD trajector file? Is there any
infulence on the amber7.0 MM_pbsa calculation results by using of amber6.0 MD
simulation results.

Wentao Fu
Ctr for Pharm Biotech
University of Illinois at Chicago