[AMBER] Post-processing with AMBER 10

From: Dian Jiao <oscarjiao.gmail.com>
Date: Fri, 26 Mar 2010 15:05:14 -0600

I'm having some trouble getting the energy from a trajectory. This is AMBER
10. My input file looks like this:

   ntpr=500, ntwr=500,ntwx=500,
   dt=0.001, vlimit=10.0,

The error messege I got is:
IMIN=5 does not support periodic boundaries (ifbox>0, ntb>0).

However, if it works if I use pre-9 version of AMBER.

So what is the right way to do this in AMBER 10?

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Received on Fri Mar 26 2010 - 14:30:03 PDT
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