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.
2013-09-04
X Sun
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Received on Wed Sep 04 2013 - 14:00:03 PDT
