On 10/12/12 2:50 PM, tarak karmakar wrote:
Thanks Justin & Chaban.
Even I did the simulation for 3 ns and it worked well.
Now the issue in my case is , while I was not imposing the M-N
constraints, the metal was rattling around (little bit) and the
histidine residues were moving back and fort
Thanks Justin & Chaban.
Even I did the simulation for 3 ns and it worked well.
Now the issue in my case is , while I was not imposing the M-N
constraints, the metal was rattling around (little bit) and the
histidine residues were moving back and forth (elongation of M-Nhis
length). So I employed
On 10/12/12 10:39 AM, Dr. Vitaly Chaban wrote:
On 10/12/12 2:42 AM, tarak karmakar wrote:
Dear ALL,
In my protein I need to constraint the length between the Metal and
the N of Histidine residues. In the .rtp file I didn't specify this
Mn-N connectivity; these are more or less coordinate bo
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