Dear amber users,
I already started some Steered MD caclulations. Since I cant get the
makeDIST_RST program work properly I generated the REST-files by hand. They
look like the following:
&rst iat=4676, 1583 r2=3.792, rk2=50, r2a=1.00,
/
Now i want to set up a calculation with 2 constraints at the same time,
something like "Decrease distance between atoms A and B while increasing
distance between atoms C and D". I read in the manual that this is possible
by the use of a generalized distance restraint constraint.
Is there anybody who already set up such a job who can maybe help me
generating a REST-file for this task? Despite reading the manual, im not sure
how to modify my REST-file to set the right parameters.
Thanks in advance,
Felix Rausch
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 11 2009 - 01:10:23 PDT
