<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt"><font size="2"><span style="font-family: tahoma,new york,times,serif;">On </span></font><font style="font-family: tahoma,new york,times,serif;" face="Tahoma" size="2">Wed, March 10, 2010 at 3:35 PM, </font><font face="Tahoma" size="2">Joe Joe <ilchorny@gmail.com> wrote:<br></font><div> <br><div><font size="3">> This is great. I was able to easily make a molecule that runs with<br>> OPLS-AA. Would it be possible to add a feature which creates an<br></font><font size="3">></font><font size="3"> *.rtp
entry? It would be really useful for making non standard<br></font><font size="3">></font><font size="3"> amino acids
and incorporating it with pdb2gmx.</font></div>
<div><br>I've been working on something to do that. Because of some<br>differences that require use of names given in defines, this<br>would be a separate program from topolbuild despite sharing<br>some component subroutines. Other research, plus my age<br>tend to make this a slow process.<br><br><br>Sincerely,<br></div><br><br></div>-- <br>Bruce D. Ray, Ph.D.<br>Associate Scientist<br>IUPUI<br>Physics Dept.<br>402 N. Blackford St.<br>Indianapolis, IN 46202-3273<div><br></div>
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