Hello AMBERs -
Is it possible to constrain in AMBER one part of the structure, while at
the same time applying harmonic restraints to another part? In other
words, can one use ibelly and ntr at the same time, and if yes how does
one ensure that ibelly applies to, say, residues 1 to 10, while ntr
apllied to residues 21to 30?
Thanks in advance,
Joseph
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Joseph Nachman Department of Biochemistry
nachman_at_hera.med.utoronto.ca University of Toronto
Medical Sciences Building
tel: +1 416 978-5510 Toronto, Ontario M5S 1A8
fax: +1 416 978-8548 Canada
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From thilax_at_usa.net 23 Nov 00 05:22:07 MST
Message-id: <20001123122208.29974.qmail.nwcst319.netaddress.usa.net>
Date: 23 Nov 00 05:22:07 MST
From: Ramasamy Thilagavathi <thilax_at_usa.net>
To: AMBER list <amber.heimdal.compchem.ucsf.edu>
Subject: dynamics with different pH conditions
In-Reply-to: <Pine.SUN.3.91.1001122122932.24982C-100000.hera.med.utoronto.ca>
Dear amber users,
Can I do dynamic simulations with pH conditions. If yes, how I can perform?
Pls send the answer to my email id. thilax_at_usa.net.
Thank you,
R.Thilagavathi,
Ph.D scholar,
Dept of Med chem,
Sector 67,
S.A.S nagar,
Mohali,
Punjab-160 062.
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Received on Wed Nov 22 2000 - 09:33:57 PST
