Re: [AMBER] format error from

From: <>
Date: Mon, 13 Jun 2011 11:25:41 +0100

Jason Swails wrote:
> Ah, it appears as though nab cannot handle a chamber-created topology file,
> which makes sense. The CHARMM-specific potential terms are not coded into
> nab.
> To fix this, you *must* have Amber11, and put the variable "use_sander=1"
> in
> your input file.
> Does this work?
> All the best,
> Jason
Hi Jason,
"use_sander=1" seems worked until I got this "Segmentation fault". Any
Beginning GB calculations with sander...
calculating complex contribution...
calculating receptor contribution...
Segmentation fault
Error: sander error during GB calculations!
NOTE: All files have been retained for debugging purposes. Type --clean to erase these files.
make: *** [cal] Error 1Beginning GB calculations with sander...


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Received on Mon Jun 13 2011 - 03:30:02 PDT
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