Dear Amber users,
I am trying to calculate SASA using sander.
Here is the input file
SASA calculation
&cntrl
imin=5,
gbsa=2,
igb=1,
ntb=0,
surften=1,
&end
I have removed water from mdcrd file using ptraj.
$AMBERHOME/exe/sander -O SASA.in -o SASA.out -p TY.top -c TY.crd -x
TY.mdcrd
if in the above line if I use -x TY.mdcrd :The error is : Unit 24 Error on
OPEN: inptraj
if I use -y TY.mdcrd : There is no error but under results I have the
following :Post processing of trajectory energies and Trajectory file ended
Can any one help me in this regard.
Thanks in advance
Siddharth Rastogi
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Received on Fri Dec 05 2008 - 14:51:28 PST
