[gmx-users] adding molecules - doubt
mattiofer at gmail.com
Wed Nov 9 14:16:59 CET 2005
Hi Wiswam and gromacs users,
Well, my system consists of a box that I am still thinking about the size,
and inside of it should be 1 protein with 283 atoms, 4800 molecules of water
(but with movement restrictions and oriented in a way that they form a basal
plane of an ice crystal), and then other water molecules that I still don´t
know the exactly number in aleatory places (and then I wrote 256 water
molecules because I have the spc216.gro file and I would like to learn how
to put only 256 molecules of water there). Thank you for your help, now I
learned how to add exactly numbers of water molecules in my system.
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