<DIV>Dear David and Users,</DIV>
<DIV> </DIV>
<DIV>I read chapter 5 a few times on .top file, but still can not solve my problem after added in another type of atom C into the .top file, The error messabe: "Moleculetype Argon contains no atoms". <BR>my .top is as below :</DIV><FONT size=2>
<P>[defaults ]</P>
<P>; nb-function combinationrule</P>
<P>1 2</P>
<P>[ atomtypes ]</P>
<P>; type mass charge ptype sig eps</P>
<P>AR 12.011 0.0 A 0.23402E-02 0.33740E-05 </P>
<P>C 12.011 0.0 A 0.23402E-02 0.33740E-05 </P>
<P>[ nonbond_params ]</P>
<P>; i j func c6 c12</P>
<P>AR AR 1 0.22317e-02 0.74158E-06 </P>
<P>C C 1 0.22317e-02 0.74158E-06 </P>
<P>C AR 1 0.22317e-02 0.74158E-06 </P>
<P>[ pairtypes ]</P>
<P>; i j func c6 c12</P>
<P>AR AR 1 0.22317e-02 0.74158E-06 </P>
<P> C C 1 0.22317e-02 0.74158E-06 </P>
<P>C AR 1 0.22317e-02 0.74158E-06 </P>
<P>[ moleculetype ]</P>
<P>; molname nrexcl</P>
<P>Argon 1</P>
<P>Carbon 1</P>
<P>[ atoms ]</P>
<P>; id at type res nr residu name at name cg nr</P>
<P>1 AR 1 Argon AR 1 </P>
<P>2 C 1 Carbon C 1</P>
<P>[ system ]</P>
<P>; systemname</P>
<P>Argon&Carbon</P>
<P>[ molecules ]</P>
<P>; molecule number</P>
<P>Argon 1000</P>
<P>Carbon 729</P>
<P></FONT>Would appreciate if you could tell me where is the problem?</P>
<P>Thanks in advance!</P>
<P>Albert</P>
<P> </P>
<DIV><BR></DIV><p><hr SIZE=1>
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