AW: NAMD2.11 DCD HEADER PROBLEM

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Sep 15 2016 - 01:09:39 CDT

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I reported that already weeks ago. For some unknown reason the number of frames is now stored in the field 5-ZEROS, instead of NSET.

Interestingly VMD doesn’t care.

Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag von Marco Sant
Gesendet: Mittwoch, 14. September 2016 12:36
An: namd-l_at_ks.uiuc.edu
Betreff: namd-l: NAMD2.11 DCD HEADER PROBLEM

Dear all,

moving from NAMD2.10 to NAMD2.11 I am no more able to read the number of frames from the header of the dcd file, what I get now is a 0 value.

This happens reading the dcd header with an in house fortran code but also with the dcd-header-manipulation code downloaded from:

 <https://github.com/tmgriffiths/dcd-header-manipulation.git> https://github.com/tmgriffiths/dcd-header-manipulation.git

All the remaining info in the header are ok, just the number of frames is corrupted.

Thanks in advance,

Marco

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