Hi all,
I am trying to run a MD simulation using NAMD but ht eamber force field but
I get an error message when trying to run the input file
Reading parm file (fr.prmtop) ...
PARM file in AMBER 7 format
Warning: Encounter 10-12 H-bond term
Warning: Found 350 H-H bonds.
FATAL ERROR: CAN'T FIND BOND PARAMETERS FOR BOND HW - HW IN PARAMETER FILES
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: CAN'T FIND BOND PARAMETERS FOR BOND HW - HW IN
PARAMETER FILES
Charm++ fatal error:
FATAL ERROR: CAN'T FIND BOND PARAMETERS FOR BOND HW - HW IN PARAMETER FILES
Abort
I know that there has been a bug but it should be fixed in the NAMD 2.7b1
version - I have looked into the *.prmtop file and I find the HW in %FLAG
AMBER_ATOM_TYPE
%FORMAT(20a4)
section but then I don't find it anymore in any of the other sections. Any
suggestions or hints how to solve the problem or debug the parameter file?
Thanks in advance
Best
J
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Received on Wed May 20 2009 - 15:02:49 PDT
