AMBER Archive (2006)

Subject: AMBER: NTR for implicit solvent? How to defin restrain for two disconnected sequences?

From: a a (patd_2_at_hotmail.com)
Date: Fri Nov 24 2006 - 00:13:38 CST

Dear All,

Could you mind to teach me if I could udr NTR=1 in implicit solvent
calculations? If yes, what can I do to define Residues 1 to 10 and 30 to 60
to be restrained. I learnt from tutorial 1, section 5 that I can type as
follows to define one continuous section to be restrained, but I cannot
restraint two disconnected sequences. What should I do ?

Please help!

Best regards,

Annie

/
Keep DNA fixed with weak restraints
10.0
RES 1 20
END
END

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