Re: NAMD2.11 DCD HEADER PROBLEM

From: Marco Sant (labicia_at_yahoo.it)
Date: Wed Sep 14 2016 - 06:37:02 CDT

Thanks for the quick answer,the trick works, still I hope the problem will be fixed by the developers in NAMD2.11 itself.
Is there a way to report possible bugs?
Thank you!

      Da: Sourav Ray <souravray90_at_gmail.com>
 A: namd-l_at_ks.uiuc.edu; Marco Sant <labicia_at_yahoo.it>
 Inviato: Mercoledì 14 Settembre 2016 13:10
 Oggetto: Re: namd-l: NAMD2.11 DCD HEADER PROBLEM
   
Hello Marco
Try loading your dcd file in VMD and save it again as dcd file there with "Save coordinates" option, it worked for a similar issue I faced.
RegardsSourav
On Wed, Sep 14, 2016 at 4:05 PM, Marco Sant <labicia_at_remove_yahoo.it> wrote:

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

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

   

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