[gmx-users] coinstraint bond length changes

[Sebastian Waltz]

Hi all,

I constrained in the .top file some bonds 

[ constraints ]
;ai   	aj	type	distance
   40	 41	2	0.1430
   47	 48	2	0.1430
   54	 55	2	0.1430
   61	 62	2	0.1430

After running the simulation for 5ns I get a bond length of
0.23....(out of the .trr file). So I am not sure whats
going wrong. This bonds are C O double bonds which have an
equilibrium bond length of 0.143nm.

Thanks a lot

Sebastian