Hello:
I am trying to restrain part of my protein. First I generate a index
file by make_ndx. Then I use genrest for this purpose like:
genres -f npt.gro -o helix -n -fc 400
after that I change the following in the topol.top file, like:
; Include Position restraint file
#ifdef POSRES
#include "helix.itp"
#endif
when I run grompp, it claimed following warnings:
WARNING 1 [file helix.itp, line 1]:
Too few parameters on line (source file
/home/albert/install/source/gromacs-4.6.3/src/kernel/toppush.c, line
1756)
here is my helix.itp:
; position restraints for System of
[ position_restraints ]
; i funct fcx fcy fcz
5 1 400 400 400
24 1 400 400 400
41 1 400 400 400
48 1 400 400 400
59 1 400 400 400
70 1 400 400 400
86 1 400 400 400
107 1 400 400 400
126 1 400 400 400
140 1 400 400 400
156 1 400 400 400
171 1 400 400 400
190 1 400 400 400
200 1 400 400 400
219 1 400 400 400
229 1 400 400 400
245 1 400 400 400
264 1 400 400 400
274 1 400 400 400
thank you very much.
Albert
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