Hi,
Iam new in Amber nad iam trying to generate to run leap with cysteine -ve attached to zinc.This is the forcefield file i generated.when i run tleap iam getting the following error.Can somebody help me with this error.
Thank u
Donna
Error message
Loading parameters: ./frcmod.pcy
Reading force field mod type file (frcmod)
Unknown keyword: SH 32.06
in parameter file.
Unknown keyword: ZN 65.37
in parameter file.
!FATAL ERROR----------------------------------------
!FATAL: In file [varArray.c], line 127
!FATAL: Message: PVarArrayIndex: VARARRAY is NULL!
!ABORTING.
Abort (core dumped)
frcmod file
MASS
SH 32.06
ZN 65.37
BOND
ZN-SH 81.820 2.293
ANGLE
ZN-SH-C 18.92 111.6
SH-ZN-SH 49.62 146.5
DIHE
C-SH-ZN-SH 9 0.0167 0.00 2.000
C-C-SH-ZN 1 0.0909 0.00 3.000
NONB
ZN 1.95 0.25
SG 3.00 0.063
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Received on Mon Feb 23 2004 - 21:53:00 PST
