[gmx-users] how can I get two parallel lysin in the same box?

Giuseppe R Del Sorbo del-sorbo at ill.fr
Tue Jan 29 20:14:37 CET 2019


Dear all,

I am using gromacs 5.1.2 and I am doing simulation with lysin and 
surfactant.

Now in the same box I want two lys30 (two identical lysin) oriented once 
in parallel and once in orthogonal each other.

I tried using gmx insert-molecules ... but it's a random orientation.

I also tried with -ip file.dat but still I didn't get what I want.

Do you have any suggestions?

Thanks

Best,

Giuseppe


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