Hello Amber Users
I have 200 water molecules forming a Layer, and one organic molecule propylene that is on top of this layer. I hvae the XYZ coordinates.
1) Please would you give a hint on how to creatae the PDB, to be able to create PRMTOP an INPCRD, certainly I need to provide framed for the propylene.
2) I need to minimise and do MD by fixing the LAYER, can I perform NON periodic calculations (ntb=0)?
THANK YOU
BEST REGARDS
B KERKENI
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Received on Thu Apr 11 2019 - 03:30:02 PDT
