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

[pbuscemi at q.com]

Giuseppe,

Use Avogadro, import or construct the four ( if I understand your model )
molecules in the desired orientations.  Save as a pdb.  Used editconf to
construct the box.

Paul

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se
<gromacs.org_gmx-users-bounces at maillist.sys.kth.se> On Behalf Of Giuseppe R
Del Sorbo
Sent: Tuesday, January 29, 2019 1:15 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] how can I get two parallel lysin in the same box?


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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