Dear Joseph,
try using the following syntax:
restraintmask=':256 & !.H='
please check section 11.5 (ambmask utility) of Amber manual for more
details about the restraintmask syntax...
Cheers,
-Viktor
Joseph Fernandez wrote:
>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.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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--
===================================================================
Viktor Hornak
Center for Structural Biology Phone: (631)632-1439
SUNY at Stony Brook Fax: (631)632-1555
Stony Brook, NY 11794-5115 E-mail: viktor.hornak.sunysb.edu
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Received on Fri May 05 2006 - 08:13:56 PDT
