<DIV>Hello,</DIV>
<DIV> </DIV>
<DIV> After running an AFM or Constraint pull
simulation, I am looking to generate a force distance curve between the pulled
group and the reference group. Any suggestions on how to do this?
Currently I am doing it manually by generating a .pdb movie of the entire
pulling, and extracting the distance between the two groups via coordinates in
the .pdb at specified time points. I then compare the distance at that time
point with the force for that time point in the .pdo file. As you might
imagine, this is very time consuming. Does Gromacs have a command to do
this for you?
Thanks.<BR><BR>______________________________<BR><BR>Venkatesh
Hariharan<BR>Pennsylvania State University<BR>Schreyer Honors
College<BR>Undergraduate - Bioengineering<BR><BR>"You must be the change you
wish to see in the world."<BR>--Mohandas Karamchand Gandhi<BR><BR><BR></DIV>