[gmx-users] MD with splitted system

davhak davhak at gmail.com
Thu Apr 3 22:42:02 CEST 2014


Dear All,

After a minimization of a membrane bilayer system with Gromacs 4.6.4
(charmm36 ff) the system got splitted into 4 parts in x/y plane (snapshot is
attached). This was not noticed by me at that time (all previous
minimizations ended without such splitting) and MD was started. The frames
extracted with "trjconv -pbc res -ur compact" from MD trajectory of this
system shows the membrane in a single piece with no splitting.
Does this mean that Gromacs MD tolerates such a split system and take all
the interactions as in an unslitted one so that one can assume that the MD
is valid?

Thanks very much for any comment.
<http://gromacs.5086.x6.nabble.com/file/n5015619/1.png> 

--
View this message in context: http://gromacs.5086.x6.nabble.com/MD-with-splitted-system-tp5015619.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.


More information about the gromacs.org_gmx-users mailing list