After using tleap to generate the amber files, I'm minimizing a protein system. When I run a minimization, I get an output file. It looks fine in the text editor.
Then I try to process the output file to look at minimization
minout.perl out.out
Processing sander output file (out.out)...
Processing step 5000 of a possible 50000...
Processing step 10000 of a possible 50000...
Processing step 15000 of a possible 50000...
Processing step 20000 of a possible 50000...
Processing step 25000 of a possible 50000...
Processing step 30000 of a possible 50000...
Starting output...
Outputting summary.NSTEP
Outputing summary.ENERGY
Outputing summary.RMS
Outputing summary.GMAX
Outputing summary.NAME
Outputing summary.NUMBER
Outputing summary.BOND
Outputing summary.ANGLE
Outputing summary.DIHEDRAL
Outputing summary.VDWAALS
Outputing summary.EEL
Outputing summary.HBOND
Outputing summary.VDW14
Outputing summary.EEL14
Outputing summary.RESTRAINT
All the files are zero bytes in size and are empty.
Any suggestions on what I am doing wrong? I've never had this problem previously
The output file, out.out, is attached.
Thanks for any help.
Jim Kress
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- application/octet-stream attachment: out.out
Received on Fri Dec 29 2023 - 11:30:03 PST
