<div id="RTEContent">I guess it depends on what kind of molecule you are talking about. If it is de novo, you can try PRODRG (Not reliable) or Ab initio methods.<br> Rama<br><br><b><i>Anthony Cruz <acb15885@uprm.edu></i></b> wrote:<blockquote class="replbq" style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"> Hi:<br>I want to know if is possible to create a .gro file that contains the atom <br>charges.<br><br>Best Regards,<br>Anthony<br>_______________________________________________<br>gmx-users mailing list<br>gmx-users@gromacs.org<br>http://www.gromacs.org/mailman/listinfo/gmx-users<br>Please don't post (un)subscribe requests to the list. Use the <br>www interface or send it to gmx-users-request@gromacs.org.<br></blockquote><br></div><p>
        
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