[gmx-users] gromos43A1 force constants

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jun 21 09:43:11 CEST 2007

herbst at fhi-berlin.mpg.de wrote:
> Hello all!
> Could someone please tell me where I can find the units of the force
> constants for bonds, angles and dihedrals for the gromos43A1 force field?
>>From the values it is clear that the units are differing from those
> usually applied in Gromacs, but I didnt see them in the manual.

The forcefield files supplied with GROMACS will use the GROMACS units. 
For anything else, please check out the original GROMOS literature - see 
section 4.11 of the manual and references therein.


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