On 2/21/13 10:18 AM, shahid nayeem wrote:
Dear all
I want to simulate a protein complex with 4 chains two of which is
linked with disulfide bonds. Does this simulation requires that all
chains are merged into one molecule definition or I should merge only
two chains which are linked with disulfide bonds. I want that all
these four chains remains bonded during simulation.
The minimum requirement is that the chains involved in the disulfide be present
in a merged [moleculetype]. How you treat the others is irrelevant.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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