[gmx-developers] RE: gmx-developers digest, Vol 1 #208 - 1 msg

Lakshmi Padmavathi lpulagam at uos.de
Fri Aug 15 09:42:29 CEST 2003

Dear gromax developers,

I would like to ask a question regarding the constraints again.

If I no the distance between two atoms which are NON BONDED. Can I make
a constraint for this during simulation? If it is possible could you
suggest me that where can I define the constraints? Can I use shake
algorithm for this. Please suggest me.

Thank you.

Best regards, 

More information about the gromacs.org_gmx-developers mailing list