[AMBER] RESOLVED: peek_ewald_inpcrd: Box info not found in inpcrd

From: <leifepeterson.sbcglobal.net>
Date: Sat, 15 Sep 2018 22:24:35 -0500

This error was resolved for sander runs by simply removing the line with
"ntb=1," in the file 02_Heat.in and the line with "ntb=2," in the file
03_Prod.in

 

The User's Manual states that the ntb setting is not really needed anymore,
since other parameters can be used to obtain the information.

 

However, why doesn't a developer/curator remove the "ntb= ," lines from
these files in the Alanine Leap and MD tutorial.

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Received on Sat Sep 15 2018 - 20:30:02 PDT
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