[gmx-users] bead-spring polymer and silver NP

MarcoB marcobernabei at gmail.com
Thu Dec 19 19:55:33 CET 2013

Dear all,
I am Marco Bernabei from the university of Barcelona.
I am quite a new users of gromacs and need some help if possible with the
following issues:

1) I have  a configuration  of a (the coordinates produced by a different
program) of a silver nanoparticle (silver atoms interacts through
Sutton-chen potential).
I would like it to put it in water (TIP4P-Ew) and perform a NPT run at
ambient condition.
Is that possible?

2) How do I generate a box of bead-spring polymers at a specific density in
order to run a langevin simulation?

I would really appreciate your help.
all the best

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