[gmx-users] pull DNA
qi-wenpeng at mail.sdu.edu.cn
Wed Aug 31 08:17:55 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 atomsin 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.
Qi-wenpeng，qi-wenpeng at mail.sdu.edu.cn
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users