AMBER Archive (2004)

Subject: Re: AMBER: problem with frcmod file

From: donna j (donna_80_j_at_yahoo.com)
Date: Thu Feb 26 2004 - 12:23:25 CST

hello Amber users,
Thanx bill and david ..
i followed just the way it is given in the tutorial...
sorry abt the file, while attaching my file to the
mail it got mangled my file looks like this ,it has
the column spacing and a line spacing after each
section...
what should the problem be then?
 
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)
 
My frcmod file is

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
 
 
Donna

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