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Elnedyn
- nivedita
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11 years 6 months ago #1193
by nivedita
Elnedyn was created by nivedita
Dear all,
I am trying to do Elastic Network analysis ,i need the value of force constant and r-cut (lower & upper bound) for that i do ,
>genrest -f cg.pdb -n index -constr -o constraints
it will generate constraints.itp having distance information but how i select lower or upper bound ?
According to this above itp Rmin. & Rmax. is 0.22 and 7.21 respectively for my protein.
Beg for your answer!
I am trying to do Elastic Network analysis ,i need the value of force constant and r-cut (lower & upper bound) for that i do ,
>genrest -f cg.pdb -n index -constr -o constraints
it will generate constraints.itp having distance information but how i select lower or upper bound ?
According to this above itp Rmin. & Rmax. is 0.22 and 7.21 respectively for my protein.
Beg for your answer!
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- xavier
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11 years 6 months ago #1194
by xavier
Replied by xavier on topic Elnedyn
It is not clear what you want to do. There is no elastic network analysis tool in the MARTINI force field.
Please more specific in the link between your objective and this forum or may be try a more appropriate one.
Please more specific in the link between your objective and this forum or may be try a more appropriate one.
nivedita wrote: Dear all,
I am trying to do Elastic Network analysis ,i need the value of force constant and r-cut (lower & upper bound) for that i do ,
>genrest -f cg.pdb -n index -constr -o constraints
it will generate constraints.itp having distance information but how i select lower or upper bound ?
According to this above itp Rmin. & Rmax. is 0.22 and 7.21 respectively for my protein.
Beg for your answer!
Please Log in or Create an account to join the conversation.
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