[gmx-users] Pull constrained Water molecule giving Lincs warning
jpatil911 at gmail.com
Mon Jul 24 07:57:53 CEST 2017
My water molecule constrained in the Bilayer using pull constrain (basically I am constraining single water molecule at fixed distance from COM of Bilayer) giving a Lincs warning :"Bonds that rotate more than 30 degrees".
It gives the same error anywhere in the Bilayer, whether it is highly dense or low density region. I changed warnangle from 30 to 60 and then to 90. Still same error. VMD shows water is not trapped at the fixed location.
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