[gmx-users] Clarification for the meaning of ncoords in GROMACS 5.0.4 pull code

Sajeewa Pemasinghe sajeewasp at gmail.com
Fri Mar 24 18:54:54 CET 2017


I have two molecules which are not moving in the z axis due to being
continuous across the periodic boxes. I want to keep the distance between
them fixed by pulling along x and y axes. So as I am pulling along x and y
axes does my ncoords = 2 ?  By going along with this logic as long as my
pull-geometry = distance, will the maximum number for ncoords be 3 (i.e.
pulling along all x, y , and z axes)? I really appreciate an explanation.

Thank you very much

Sajeewa Dewage
New York University - Abu Dhabi

More information about the gromacs.org_gmx-users mailing list