[gmx-users] distance restraint

xiao helitrope at 126.com
Fri Aug 7 11:34:47 CEST 2015

Dear Gromacs users,

I am running a MD with distance restraint between two atoms. Firstly, i put the following text in the topology file: 
230 1683 1 0 1 0.25 0.27 0.29 50
This is to restraint the distance between the two atoms 230 and 1683 around 0.26 nm. I am not sure the units used by Gromacs, and i guess it is nanometer, can anyone tell me whether i am right or not?

Secondly, i added the following text in the .mdp file:

This is what i did, and i am not sure whether i skip something important. I really appreciate it to get any information from you.

Best regards


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