[gmx-users] Question about distance restraints

Tanos Franca tanosfranca at gmail.com
Sat Aug 31 23:28:03 CEST 2019


     Dear users,

     I´m trying to run a MD simulation using different distance 
restraints for several pairs of atoms (example: 0.1 nm - 0.2 nm; 0.2 nm 
- 0.3 nm, ...) but it´s not working. GROMACS is only accepting one range 
of restraint (example: 0.1 nm - 0.2 nm for all pairs) per simulation. If 
I try including different ranges I got fatal error mesage. Does someone 
knows how to run the different range of distances in the same MD simulation?

     Bests,

     Tanos França.


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