AMBER Archive (2006)

Subject: AMBER: trouble adding mdcrd files together

From: Adam Pelzer (yankeeswin314159_at_yahoo.com)
Date: Fri Jun 02 2006 - 17:22:46 CDT

Dear AMBER users,

I have run into trouble using ptraj to add two mdcrd files together. My input file was simply this:

trajin no_salt_prod.mdcrd
trajin no_salt_prod2.mdcrd
trajout no_salt_prod1500.mdcrd

no_salt_prod.mdcrd has 250 frames, and no_salt_prod2.mdcrd has 500 frames. Both of these files had been previously read into both VMD and ptraj without problems. When I submitted this input file to ptraj, everything seemed to go smoothly, with ptraj recognizing all of the frames of each mdcrd file. However, when I tried to use no_salt_prod1500.mdcrd (which should have had 750 frames) as a "trajin" file, I was told by ptraj that the file had only 598 frames. I read it into VMD and VMD also found only 598 frames.

Does anyone know what may have gone wrong here? I would be very grateful for any suggestions. Thank you in advance.

Adam

                
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