From: sudipta (sudipta.mml_at_gmail.com)
Date: Sun Sep 15 2013 - 23:51:48 CDT
Hi All,
I am facing a problem to run a simulation where the .prmtop file was
generated by CHAMBER (AMBERTOOLS 13). The new .prmtop file which I
generated using CHAMBER is not compatable with NAMD. The NAMD program
showing some error like
Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: Failed to read AMBER parm file!
Charm++ fatal error:
FATAL ERROR: Failed to read AMBER parm file!
However, when I generate a file using tleap then it is running. But during
that time I need to use amber force filed which I don't want. Please give
some suggestions how do I use chamber generated .prmtop file for runnig
namd2 program. Although, I can use directly CHARMM force field for running
namd2. But I don't want that because, I want to use ambertools after
getting the trajectories. Is there any tricks or do I need to change format
further? if so, how can I do that?
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