[gmx-users] reg electrostatics
scvsankar_agr at yahoo.com
Wed Jul 13 19:40:35 CEST 2011
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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