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On 19/10/2011 9:12 PM, francesco oteri wrote:
<blockquote
cite="mid:CAFQcp-N_Lc5eN5T1PPQqz4_uTByiy+bZ9=mq=BcmQOszVO4CLg@mail.gmail.com"
type="cite">Dear gromacs users,
<div>I am inspecting the <span style="background-color:
transparent; ">charmm27.ff/ions.itp file and I noticed that
the ZN ion has a negative charge:</span></div>
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[ moleculetype ]</div>
<div>; molname nrexcl</div>
<div>ZN 1</div>
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<div>[ atoms ]</div>
<div>; id at type res nr residu name at name cg nr
charge</div>
<div>1 ZN 1 ZN ZN 1 -2</div>
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<div>Is it right? </div>
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<br>
No. Should be positive. I have fixed it for the future.<br>
<br>
Mark<br>
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