VMD-L Mailing List
From: Subrata Paul (paul.subrata34_at_gmail.com)
Date: Mon Mar 30 2015 - 00:26:54 CDT
- Next message: M K: "about the diffusion & msd plugin"
- Previous message: Jian Dai: "The charge of glycine mutations in Mutator is not equal to zero"
- Next in thread: Mayne, Christopher G: "Re: namdenergy pluding error"
- Reply: Mayne, Christopher G: "Re: namdenergy pluding error"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Dear NAMD/VMD user,
I am calculating nonbonded energy from amber topology file usind VMD
NAMDenergy plugin.
The following error are coming
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: The periodicity of dihedral # 1 is zero!
Charm++ fatal error:
FATAL ERROR: The periodicity of dihedral # 1 is zero!
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: The periodicity of dihedral # 1 is zero!
Charm++ fatal error:
FATAL ERROR: The periodicity of dihedral # 1 is zero!
while executing
"exec $namdcmd ${jobname}-temp.namd > ${jobname}-temp.${i}.log"
(procedure "namdrun" line 75)
invoked from within
"namdrun"
(procedure "namdmain" line 76)
invoked from within
"namdmain"
(in namespace inscope "::namdEnergy" script line 19)
invoked from within
"::namespace inscope ::namdEnergy {
mol top $currentMol
variable sel1
variable sel2
variable nsel
set energy ""
set..."
invoked from within
".namdenergy.gobutton invoke"
("uplevel" body line 1)
invoked from within
"uplevel #0 [list $w invoke]"
(procedure "tk::ButtonUp" line 22)
invoked from within
"tk::ButtonUp .namdenergy.gobutton"
(command bound to event)
Can you suggest me why..?
-- *With Best RegardsSubrata PaulPhD StudentDept of Chemistry.IIT Guwahati*
- Next message: M K: "about the diffusion & msd plugin"
- Previous message: Jian Dai: "The charge of glycine mutations in Mutator is not equal to zero"
- Next in thread: Mayne, Christopher G: "Re: namdenergy pluding error"
- Reply: Mayne, Christopher G: "Re: namdenergy pluding error"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]