[gmx-users] polymer

[mojtaba alaei]

Dear Dr.spoel

you wrote:
>If you do not have an infinite molecule it is usually fine, as long as
>your molecule is shorter than 3 box lengths, otherwise the same env.
>var. has to be set.

What do you mean?Can gromacs do it?

Sincerely yours

Mojtaba



I wrote at Sat, 17 Aug 2002 08:57:49 :
Dear All
There are some initial steps for MD simulation of Amorphous polymer:>
1-The periodic box,which is usually cubic are chosen>
2-Then chain propagation takes place.As the chain propagates out of the  
periodic box through one face,it enters the box through the opposite  
face.Replication of the box thus produces correctly covalently connected  
chains.
therefore,I can't accommodate some chain polymer in a (periodic )box
completely.
Can gromacs do it(second step)?

Sincerely yours

Mojtaba



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