Dear all,
If I have to maintain a PH of 5.5 in my system for the MD studies with
100mM NaCl concentration (to mimic the experimental conditions), do I need
to just add the solvph=<*pH*> Keyword in the script? If yes, should it be
added in all stages including minimization and heating??
Do we need to alter anything during the tleap complex generation step?
Thank you in advance.
Regards,
Sruthi Sudhakar
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Received on Mon Dec 20 2021 - 10:00:02 PST
