From: Branko (bdrakuli_at_chem.bg.ac.rs)
Date: Fri Dec 04 2015 - 11:50:53 CST
Nancy,
See
http://www.ks.uiuc.edu/Research/namd/2.10/ug/node12.html
Setting 'restartsave' to 'yes' will produce closest to your need. Be
aware that in this way for longer trajectory huge number of files can be
produced
Branko
On 12/4/2015 6:31 PM, Deng, Jinxia (Nancy) wrote:
>
> Hi All,
>
> I have membrane system generated from Charmm-Gui and it works very
> well so far to the quick test run. But since I am very naive on the
> scripting part, so just wonder whether you could help to editing the
> attached herein MD input file so that it can generate .dcd file at
> every 500ps (or user can changed number) instead of the single output
> .dcd...
>
> I really have no idea how big effort this request could be, but
> appreciate any of your input.
>
> Thanks
>
> Nancy
>
> *Nancy Deng, Ph.D. *| Principal Scientist, Computational Chemistry &
> Molecular Modeling**
>
> Zoetis Inc| Global Therapeutics Research | 333 Portage Street,
> Kalamazoo, MI 49007
>
> Office:*2693599121 | jinxianancy.deng_at_zoetis.com*
>
This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:22:17 CST