is there any way to get a detailed description of the
force-field parameters that I have chosen if I only
have the topology file?
I believe rdparm will do this for you interactively. There
is also a tool you can make in amber6/src/leap/src/leap
% make utilDescribeTopology
which may be useful. As far as I remember, rdparm is better.
Bill Ross
Received on Wed May 09 2001 - 15:27:01 PDT