Dear Amber User,
I need to calculate the secondary structure(Para+Anti+Alpha+3-10+Pi) of my
protein vs time.I used this script (below).
parm 1WJB-OPC-FF10-folded.top
trajin 1WJB-OPC-FF10-folded.prod1.traj
secstruct :1-55 secstr-folded-ff10.dat out
secondarystructuer-folded-ff10.dat sumout average-folded-ff10.dat assignout
overall-folded-ff10.dat
and I got the file (secondarystructuer-folded-ff10.gnu), in this file each
kind of secondary structuer show with the number, I used the " gnuplot
secondarystructuer-folded-ff10.gnu" to see the graph and I got this error
"secondarystructuer-folded-ff10.gnu", line 2: invalid command".
dose any one knows what is the problem?
and how to get the graph (secondary structure(Para+Anti+Alpha+3-10+Pi) vs
time)?
Best Regrads
Parviz
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Received on Thu Aug 11 2016 - 09:30:02 PDT
