<div>Dear Erik</div>
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<div>you said Amber03 was not parameterized with charge groups and last column in your rtp entry holds the chargegroup numbers. but<br>cgnr column in my top file does not looks just like it. in case of H1, H2 and H3.
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<div><i> H1 amber99_17 0.16420 2<br></i><i> H2 amber99_17 0.16420 3<br></i><i> H3 amber99_17 0.16420 4<br></i><i> </i><i> </i>. that's ok. but why</div></div>
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<div><i>and my top file is as follow :<br></i><i> <br></i><i> <br></i><i> nr type resnr residue atom cgnr charge mass <br></i><i> </i><i>2 amber99_17 1 NGLY H1 2 0.1642 1.008 <br>
</i><i> 3 amber99_17 1 NGLY H2 2 0.1642 1.008 <br></i><i> 4 amber99_17 1 NGLY H3 2 0.1642 1.008 <br></i><i> </i></div>
<div>thanks for your attention </div>