Dear justin Thank you for previous patient reply To study the salt effect (ionc strength) on H-bonding of protein Which option of Electrstatics is best either PME or Cut-off ? Because when i read one recent articles They used Cut-off option I Think PME is recent option 2) which one is best Water model TIP OR SPC WATER MODEL to study the ionic strength.?
3) which one is best( either implicit or explicit) water model to study the effect of electrostatic interaction on H-bonding of protein? Thanks in advance I am eagerly expecting your reply
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