Hi,
I am including position restraints as one of the directives under
[moleculetype] (as shown on page 137 (section: 5.7, manual:4.6.4 pdf)).
[ dihedrals ] ; impropers
; treated as propers in GROMACS to use correct AMBER analytical function
; i j k l func phase kd pn
2164 2162 2161 2163 1 180.00 4.60240 2 ; H- O-
C- O1
[ position restraints ]
; ai funct fcx fcy fcz
1 1 418400.0 418400.0 418400.0
2 1 418400.0 418400.0 418400.0
HOwever, I am following error:
ERROR 1 [file lnanop3_6.top, line 2207]:
Invalid directive position restraints
Any clues will be appreciated.
Thanks
Chetan.
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