AMBER Archive (2008)

Subject: AMBER: from Gromax to AMBER

From: Cristina Sisu (csds2_at_cam.ac.uk)
Date: Tue May 13 2008 - 05:00:24 CDT

Dear Ambers,

I have problems running Amber on multiple nodes on our cluster. This has
nothing to do with Amber, as my computer officer assured me, but with
some environment modules. However gromax dose not have the same problem.
Now, I need to do some MM-PBSA calculations on my proteins. My question
is, can I run a production run with gromax and then use the trajectory
file obtained there for the mm-pbsa calculations?

Is there a way to inter-convert the files of the two systems?

Thanks,

Cristina
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