[AMBER] The silver ion parameter

From: nali <naliz.foxmail.com>
Date: Wed, 6 Oct 2021 01:01:14 +0800

Dear AMBER community,


I'm&nbsp;performing&nbsp;a&nbsp;MD&nbsp;simulation&nbsp;and&nbsp;my&nbsp;system&nbsp;is&nbsp;a&nbsp;duplex&nbsp;DNA&nbsp;containing&nbsp;silver(Ⅰ)&nbsp;ions.&nbsp;I&nbsp;adopted&nbsp;OL15&nbsp;force&nbsp;field&nbsp;and&nbsp;TIP3P&nbsp;water.&nbsp;When&nbsp;I&nbsp;tried&nbsp;to&nbsp;get&nbsp;prmtop&nbsp;and&nbsp;inpcrd&nbsp;file&nbsp;in&nbsp;the&nbsp;tleap&nbsp;program,&nbsp;I&nbsp;got&nbsp;the&nbsp;error&nbsp;"For&nbsp;atom&nbsp;(.R<AG&nbsp;13&gt;.A<AG&nbsp;1&gt;)&nbsp;could&nbsp;not&nbsp;find&nbsp;vdW&nbsp;(or&nbsp;other)&nbsp;parameters&nbsp;for&nbsp;type&nbsp;(Ag+)".&nbsp;The&nbsp;AG&nbsp;has&nbsp;one&nbsp;positive&nbsp;charge&nbsp;in&nbsp;parameter&nbsp;file.&nbsp;The&nbsp;charge&nbsp;is&nbsp;right&nbsp;but&nbsp;why&nbsp;it&nbsp;could&nbsp;not&nbsp;find&nbsp;vdW&nbsp;parameter?&nbsp;Could&nbsp;one&nbsp;help&nbsp;me&nbsp;with&nbsp;this&nbsp;problem?

Thank&nbsp;you&nbsp;in&nbsp;advance,
na
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Received on Tue Oct 05 2021 - 10:30:02 PDT