[gmx-users] Water removed from system and visualizing protein alone
Björn Sommer
bjoern at CELLmicrocosmos.org
Fri Feb 5 11:26:12 CET 2016
On 5/02/2016 9:02 pm, gromacs.org_gmx-users-request at maillist.sys.kth.se
wrote:
> Hi,
>
> That works, but only if your full trajectory is small enough to fit in
> memory!
>
> Mark
>
> On Fri, 5 Feb 2016 09:05 Nikhil Maroli<scinikhil at gmail.com> wrote:
>
>> >HI,
>> >simple way is to load the full trajectory and gro file then change the
>> >water draw style and protein draw style,so that you can have a nice look
>> >on the structure,separately ..no need to remove anything from the .gro and
>> >tpr or xtc
>> >Regards
>> >Nikhil
>> >
>> >
>>
Mark, yes, but you know that you can just skip every Xth frame in VMD by
defining in the "Molecule File Browser" Frames -> Stride. Yes, it will
not be so smooth anymore, but you can check at least if the trajectory
meets your expectations. And as I said before, if your memory is very
limited, please 1) load the PDB, then 2) select the molecules/atoms to
be visualized in the "Representations" window, and then 3) load the
trajectory (see my previous email for details). Especially in case you
are not interested in the water, this may safe a lot of your precious
memory!
Bjorn
More information about the gromacs.org_gmx-users
mailing list