Hello
I ran the "Methane in water box" tutorial using Amber7 and got the MD
trajectories. I wanted to analyze them using ptraj, but got an error
message when i tried to run it on the solvated system topology file:
ptraj mebox.top
The message was
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Input the name of an AMBER prmtop or CHARMM PSF: mebox.top
Opened file mebox.top with mode (r)
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...
MTH WAT WAT WAT WAT WAT WAT WAT WAT WAT
WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT
...
WAT WAT WAT WAT
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...
ERROR in readParm: ...failed to find ANGLES_INC_HYDROGEN
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Thank you,
Dvira Segal
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Dvira Segal
School of Chemistry, Tel Aviv University
Tel Aviv, 69978 ISRAEL
Phone: 972-3-640 7634 Fax: 972-3-642 3765
email: dvira_at_post.tau.ac.il
http://femto.tau.ac.il/~dvira
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Received on Fri Jan 31 2003 - 02:45:03 PST
