[AMBER] Convert DCD to MDCRD, lose PBC.

From: X Sun <egeh00.aol.com>
Date: Wed, 04 Sep 2013 15:54:18 -0600

Hi, AmberTools users,

I tried to use ptraj to convert DCD file output from NAMD to MDCRD format for easy reading by my codes, however, it looks the process loses the PBC information. When I use VMD to convert DCD into CRDBOX format, there is PBC information in CRDBOX. I checked the default option of ptraj is nobox. Does someone may clarify how I could set up with box or PBC for trajout?

Thank you in advance!

Xiaoquan Sun.


X Sun
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Received on Wed Sep 04 2013 - 14:00:03 PDT
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