Dear all,
I was trying to analyze a trajectory from NAMD with the charmm psf file.
When I run the ptraj command as shown in the following line.
*ptraj /data/dynamics/results/molecule/psf/protein.psf < script.txt
*I am getting the following error message. A part of it has been pasted .
Error scanning a value: pert, iacper
Error scanning a value: pert, iacper
WARNING in scanDouble: ...scanning pert, cgper
WARNING in scanDouble: ...scanning pert, cgper
WARNING in scanDouble: ...scanning pert, cgper
Segmentation fault
One thing that i consider is , size of the system , which contains 66937
atoms which is quite big.
Can anyone help me in solving this problem and go further . The Psf file
can be downloaded from the link :
https://ssl.serc.iisc.ernet.in/~gurunath/protein.psf.gz
--
Gurunath M Katagi
Graduate Research Student
Bio molecular computation Laboratory
Supercomputer Education & Research Center
Indian Institute Of Science, Bangalore- 560012
Karnataka State, India
Phone:080-22932737-319,080-22933061
email: gurunath.rishi.serc.iisc.ernet.in
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Received on Wed Dec 02 2009 - 23:00:03 PST
