From: Elia Zumot (enz1+_at_pitt.edu)
Date: Fri Aug 07 2009 - 16:45:23 CDT
Dear NAMD users,
I work with NAMD 1.8.6 on a Linux platform and have used it for SMD with
membrane proteins. Upon using the GUI NAMD Energy to measure the
interaction between the substrate and the protein (PME clicked, XSC and
parameter files determined) I clicked the "Run NAMDEnergy" and got a
message that:
"Program not found
Could not locate 'namd2'
Description: NAMD 2.x Molecular Dynamics Engine
Would you like to specify its path?"
If I do not specify the namd file I get "Error: couldn't execute "": no
such file or directory"
When I do specify the namd2.exe file in \NAMD_2.7b1_Win32\, I get an error
"Error: Processor 0 exiting: Called Cmi Abort
Reason: FATAL ERROR: CAN'T FIND CROSSTERM PARAMETERS FOR C NH1 CT1 C NH1
CT1 C NH1
Charm++ fatal error:
FATAL ERROR: CAN'T FIND CROSSTERM PARAMETERS FOR C NH1 CT1 C NH1 CT1 C NH1"
I tried the same with VMD on windows XP (where everything runs normal with
NAMD/VMD) and in this case I get a message that "Error:
This application has requested the Runtime to terminate it in an unusual way:
Please contact the application's support team for more information" after
specifying the namd2.exe path.
What should I do?
Thanks for the help
Elia
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