Dear Amber Users,
I am trying to simulate a water box (without any solute atom) using
Amber7. I have successfully created the prmtop and inpcrd files and
energy-minimized the water box. However, when I try to run ptraj commnad
on the crd files I get an error. This is how the output looks:
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...
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
I have tried to find a solution from the mailing list since many users
have reported the same error. But I could not solve the problem. Can
anybody please help me ?
Thanks,
-priti
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Received on Wed Jan 04 2006 - 18:16:50 PST
