[gmx-users] potential energy in implicit solvent simulations

Per Larsson per.larsson at sbc.su.se
Fri Sep 17 16:38:48 CEST 2010


It seems that the non-polar energy term has gone missing, and does not get included in the print-out. 

While adding it back again properly  I found some other issues that I need to check before committing. The total potential energy should be correct. 


16 sep 2010 kl. 17:47 skrev "Ehud Schreiber" <schreib at compugen.co.il>:

> Can you explain this situation?

More information about the gromacs.org_gmx-users mailing list