[gmx-users] Re: Protein coming out of the box

[sudheer babu]

Oh...Similar type of problem once I have got, so got reply from some
one in archives that if use comm_grps= protein , protein will not come
out of the water box.So thats why I have suggested, If I say wrong
answer regret for that

>*  Hi,
*>*  Ravi
*>*  Use comm_grps = protein in your .mdp file.
*>*
*>*
*>*       3. protein coming out of the box (ravi sharma)
*>*
*
No!

You will ruin energy conservation...

>*
*>*     Hello everyone
*>*
*>*     my protein coming out of the box in final md how can i fix my
*>*     protein in the middle of the box. can you help me out??
*>* *
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