AMBER Archive (2002)

Subject: Analysis of LES simulation

From: mer_at_chem.wayne.edu
Date: Sun Jun 30 2002 - 17:40:39 CDT

Dear AMBER users:
  I am using moilview to visualize a simulation I have carried
out using sander.LES. However, I have so far not been able to
open the amber restart coordinate file required for visualization
of a trajectory. The program gives me a "amber format error"
message whenever I open the topology file created by addles.
  I have also used the undocumented programs that come
along with moilview. I get the following error when i
try reading in the topology file:

 enter topology filename
lesparm.top
 AMBER 4.1 style LES not detected
 Error reading initial variable list in parm file.
 problem reading parameter file

my non-LES topology file is read with no problems with
either ptraj or carnal. I am currently using AMBER 7.

Thanks in advance for any help on these matters.

-best regards, samy.