Hello,
You could use packmol.
Stéphane
--------------------------------------------------------------------
Stéphane Abel, Ph.D.
CEA Saclay DSV/IbItec-S/SB2SM & CNRS UMR 8221
Bat 528, Office 138C
Gif-sur-Yvette, F-91191 FRANCE
Phone (portable) : +33 6 49 37 70 60
________________________________________
De : Iqbal, Muhammad Sajid [iqbal.uleth.ca]
Envoyé : lundi 28 juillet 2014 19:07
À : amber.ambermd.org
Objet : [AMBER] Solvating the system with polyethylene glycol PEG
Dear Amber users,
I have develop library file for PEG molecule and want to solvate my
simulation box using peg molecules rather than water. Could any one please
guide how it could be done?
thank you
Iqbal
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Received on Mon Jul 28 2014 - 11:30:02 PDT
