AMBER Archive (2006)

Subject: AMBER: restraintmask

From: Joseph Fernandez (joefern9999_at_yahoo.com)
Date: Thu May 04 2006 - 13:22:21 CDT

I would like to restrain a residue using ntr.
However, I would only like to restrain the heavy atoms
(without the hydrogen atoms). WHen I use the
following syntax:

restraintmask=':256~@H'

I get an error that ~ is an invalid symbol. When I
use the following:

restraintmask=':256_at_N*,C*,O*'

I also get an error message that * is an invalid
symbol.

Any help on this matter would be greatly appreciated.

Joe

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