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Hi !<br>I am a newby on gromacs. Ive run dynamics of an ATP binding domain without ligand, but now, as the crystal structure with the bound ADP is published, I would like to see its dynamics. However as I started, I realized that topologies of ADP and ATP are not present in OPLS .itp file. Did anyone create a topology file that works for this molecule ?<br>Thanks in advance.<br>Ernesto.<br><br><hr size="2" width="100%">
<font style="font-size: 8pt;" size="1"><i><br><font color="#000000"><font face="Times New Roman">"</font></font></i></font><font style="font-size: 8pt;" face="Times New Roman" size="1">Nada más preciado que la continuidad</font><font style="font-size: 8pt;" face="Times New Roman" size="1"><br></font><font style="font-size: 8pt;" face="Times New Roman" size="1">El amor si no es eterno no vale.</font><font style="font-size: 8pt;" face="Times New Roman" size="1"><br></font><font style="font-size: 8pt;" face="Times New Roman" size="1">(...)Aceptar el reto, seguir la señal</font><font style="font-size: 8pt;" face="Times New Roman" size="1"><br></font><font style="font-size: 8pt;" face="Times New Roman" size="1">Enfrentarse a los posibles abismos</font><font style="font-size: 8pt;" face="Times New Roman" size="1"><br></font><font style="font-size: 8pt;" face="Times New Roman" size="1">Abrir todas las puertas, desmontar la razón</font><font style="font-size: 8pt;" face="Times New Roman" size="1"><br></font><font style="font-size: 8pt;" face="Times New Roman" size="1">Apagar los juicios sobre uno mismo</font><font style="font-size: 8pt;" size="1"><i><font color="#000000" face="Times New Roman">"<br></font></i></font><font style="font-size: 8pt;" size="1"><br></font><font style="font-size: 8pt;" size="1"> Pedro Aznar</font><br><br><font face="Comic Sans MS"><i><font style="font-size: 8pt;" size="1">Ernesto Andrés Roman</font><font style="font-size: 8pt;" size="1"><br></font><font style="font-size: 8pt;" size="1">IQUIFIB-Fisicoquímica Biológica</font><font style="font-size: 8pt;" size="1"><br></font><font style="font-size: 8pt;" size="1">Facultad de Farmacia y Bioquímica</font><font style="font-size: 8pt;" size="1"><br></font><font style="font-size: 8pt;" size="1">Universidad de Buenos Aires</font><font style="font-size: 8pt;" size="1"><br></font><font style="font-size: 8pt;" size="1">Junin 956 (1113) </font><font style="font-size: 8pt;" size="1"><br></font><font style="font-size: 8pt;" size="1">Buenos Aires, Argentina</font><font style="font-size: 8pt;" size="1"><br></font><font style="font-size: 8pt;" size="1">Tel: (+54 11) 49648289 (int. 124)</font></i></font> <br><br><br><br><br> <br /><hr />Hotmail: Trusted email with Microsoft’s powerful SPAM protection. <a href='https://signup.live.com/signup.aspx?id=60969' target='_new'>Sign up now.</a></body>
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