Hello Berk :<br clear="all">Thanks for replying so fast, but I did. I set up the temperature as follow:<br>
reduced temperature = <span style="font-weight: bold;">5</span><br>
Gromacs temperature = <span style="font-weight: bold;">5</span> / <span style="font-weight: bold;">0.00831451</span> = <span style="font-weight: bold;">601.3583482</span>. I put this value in the imput file.(grompp.mdp)
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Please take a look at my files. Thanks in advance.<br>-- <br>Cheers, <br> <br>Paul CARDENAS LIZANA<br><a href="mailto:g943189@oz.nthu.edu.tw">g943189@oz.nthu.edu.tw</a> / <a href="mailto:paulclizana@gmail.com">paulclizana@gmail.com
</a><br>National Tsing Hua University (ÇåÈA´óŒW)<br>
<br>ÖxÖxÄãµÄŽÍæ<br>I appreciate your help. Thanks!<br>Os agradezco la ayuda. Gracias!