Thank you for your suggestion. Unfortunately, that didn't do it either. I
have played around with the ambmask quite a bit. Even selecting the
individual atoms that make up residue #16 (so using '(.226-240<:3.0)')
doesn't work either with sander.
Thanks!
Aseel
-----Original Message-----
From: David Case [mailto:david.case.rutgers.edu]
Sent: Thursday, January 19, 2017 8:26 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] ambmask issue
On Wed, Jan 18, 2017, Aseel Bala wrote:
> 1. Line 92: says Mask :16 <:3.0; matches 4530 atoms.
This is what has to be fixed, since it leads to the other problems you
mention.
Wild guess: try removing the space between the "6" and the "<" character.
...dac
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Received on Thu Jan 19 2017 - 07:30:03 PST
