Dear Amber Users,
I have probably a naive question.
I would like to distinguish between water molecules from the crystal
structure and water molecules of the water box during my simulation. But
tleap is changing the names of water residues (both crystal and from the
water box) to WAT. And I would like to have two (or maybe even more)
'types' of water molecules residues - from the crystal structure and from
the water box.
Is there a way to do this?
Best regards,
Karolina Mitusińska
PhD student
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Received on Wed Apr 05 2017 - 02:30:03 PDT
