Hello everybody,
I have run a md-simulation with Gromacs and want to analysis it now in cpptraj
with SPAM. Therefore I use these commands:
parm 2lyo.prmtop
trajin 2lyo.trr
spam peaks.xyz solv SOL reorder dgbulk -28.4597 dhbulk -17.7415 temperature 300
name 2lyo summary spam.out
But I get:
Warning: 'dgbulk' not specified; using default for SPC/E water.
Warning: 'dhbulk' not specified; using default for SPC/E water.
Could somebody please indicate me how I can correctly set dgbulk and dhbulk for
my water model tip3p.
Thank you very much and best regards!
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Received on Thu May 11 2017 - 08:00:02 PDT
