[AMBER] renum water

From: Jacopo Sgrignani <sgrigna.sissa.it>
Date: Thu, 14 Jul 2011 10:50:06 +0200

Dear Ambers
I have a problem. When I save a pdb file with many water molecules
using VMD, VMD assing to the waters its code (number and letter)
without
TER between the waters.
I usually add the TER between the molecules using "sed" but I have to
do a lot of work to correctly renumber the waters.
Does anybody know some tleap commands or scripts to do it faster?

Thanks

Jacopo

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Received on Thu Jul 14 2011 - 02:00:04 PDT
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