[gmx-users] pull DNA
qi-wenpeng at mail.sdu.edu.cn
Fri Sep 2 13:41:36 CEST 2005
i used the pull code in gromacs-3.2.1 to pull the dickerson DNA, use ffamber94 force field.
i fixed six carbon atoms in one end(3 on each chain ), and pull six in the other end of DNA.
The velocity is 0.0004nm/ps. The k is 10000 kJ/(mol.nm.nm).i simulate 3ns.
The DNA is stretched, but it isn't unzip.why ?
thanks alot in advance.
qwp，qi-wenpeng at mail.sdu.edu.cn
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