Dear,
I edited a .frcmod file. But when I load it into leap using loadamberparams
command, it displays:
> loadamberparams 2-capto.frcmod
Loading parameters: ./2-capto.frcmod
Reading force field modification type file (frcmod)
Reading title:
>From VanBeek et al. Biophys J. (2007) 92, 4168-4178
Usually the normal situation is that, there would appear a "<" sign and can
enter commands. Thus there must be some problem. But I cannot fix it and
ask for your help.
The frcmod file is like follows:
>From VanBeek et al. Biophys J. (2007) 92, 4168-4178
MASS
BOND
C- H 340.00 1.090 same as defalt
C- S 227.00 1.780 energy from CT-S data,distance from software
measure
ANGLE
N-C-H 50.0 109.50 AA general changed based on NMA nmodes
N-C-C 63.0 110.10
C-N-C 50.0 118.00
C-C-H 50.0 109.50
C-C-C 40.0 109.50
H-C-H 35.0 109.50
C-S-S 68.0 103.70 data from CT-S-S
C-C-S 50.0 114.70 data from CT-CT-S
DIHE
C-S-S-C 1 3.50 0.0 -2.0 JCC,7,(1986),230
C-C-S-S 3 1.00 0.0 3.0 JCC,7,(1986),230
IMPROPER
NONBON
Thanks.
C.Q.
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Received on Thu Nov 01 2012 - 06:30:02 PDT
