[gmx-users] energy minimization end too early!
zzhwise1 at 163.com
Thu Sep 28 14:38:56 CEST 2006
today ,I do minimization with my system,my system with two face to face monolayers composed of ch3(ch2)13cooh,
when i set the molecular as CHO group,it pass smoothly,because i want to pull the upper layer ,so i set the upper layer group DHO that has the same parameters with CHO itp , but the mdrun only reached 22th step and finished normally,which is too few to 5000 steps!
i want why !
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users