AMBER Archive (2004)

Subject: AMBER: problem with frcmod file

From: donna j (donna_80_j_at_yahoo.com)
Date: Mon Feb 23 2004 - 15:47:12 CST

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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