From: Rabeta Yeasmin (rabetayeasmin_at_gmail.com)
Date: Tue Mar 07 2017 - 09:42:58 CST
I am trying to set up a TMD simulation of a protein-lipid system. In the
targeted structure, the protein is inside the lipid while protein is
outside the lipid in the initial structure. I have tried to set up initial
structure using charmm-gui (the program used to set up the targeted
structure). But it looks like the total number of atoms is different in the
targeted and initial(charmm-gui) structure. It may due to different number
of water molecules in the two structure.
How can I set up the initial structure having same number of molecules as
the targeted structure?
Can anyone please help me with this?
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