Ok, I found a solution in:
http://archive.ambermd.org/201408/0139.html
As detailed there, I had to change the SOLVATE (and AUTOIONIZE )
topology files for TIP3P water, uncommenting the BOND between H1 and H2.
I found the files in
vmd/plugins/noarch/tcl/solvate1.7/wat.top
and
vmd/plugins/noarch/tcl/readcharmmtop1.2/toppar_water_ions_namd.str
It works fine now.
Thanks.
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Received on Fri Sep 08 2017 - 13:00:04 PDT
