Dear Amber Users,
I was following Tutorial8 (Case study) for my protein
and in analysing results, i was trying to get frame
with lowest energy but its not working
my input and output looks like this:
> $AMBERHOME/exe/ptraj prmtop.top <
extract_frame.trajin > extract_frame.out
Read in control variables
Read in atom names...
Read in charges...
Read in masses...
Read in IAC (atoms involved in L-J)...
Read in NUMEX (index to excl atom list)...
Read in NNO (index for nonbond of .type)...
Read in residue labels...
Read in the residue to atom pointer list...
Read in bond parameters RK and REQ...
Read in angle parameters TK and TEQ...
Read in dihedral parameters PK, PN and PHASE...
Read in SOLTY...
Read in L-J parameters CN1 and CN2...
Read in info for bonds w/ hydrogen...
Read in info for bonds w/out hydrogen...
Read in info for angles w/ hydrogen...
Read in info for angles w/out hydrogen...
Read in info for dihedrals w/ hydrogen...
Read in info for dihedrals w/out hydrogen...
Read in excluded atom list...
Read in h-bond parameters: AG, BG, and HBCUT...
Read in atomic symbols (types)...
Read in tree information...
Read in the JOIN info...
Read in the IROTAT info...
Read in box information...
Checking coordinates: Melb.mdcrd
Could not open file (Melb.mdcrd) with mode (r)
Thanks,
Varsha Gupta
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Received on Mon Sep 19 2005 - 18:53:00 PDT
