modify input file for production phase MD

From: Deng, Jinxia (Nancy) (jinxianancy.deng_at_zoetis.com)
Date: Fri Dec 04 2015 - 11:31:26 CST

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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

• application/octet-stream attachment: step7.1_production.inp

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