<div class="gmail_extra">Hello Albert,</div><div class="gmail_extra"><br></div><div class="gmail_extra">Good to know that!</div><div class="gmail_extra">I have carried out simulations using this FF in the range of 600 ns.</div>
<div class="gmail_extra"><br></div><div class="gmail_extra">Regards,</div><div class="gmail_extra"><br></div><div class="gmail_extra">Anirban<br><br><div class="gmail_quote">On Thu, Apr 26, 2012 at 3:47 PM, Albert <span dir="ltr"><<a href="mailto:mailmd2011@gmail.com" target="_blank">mailmd2011@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hello Anirban:<br>
<br>
thanks for kind comments.<br>
How long did you mean " fairly long simulation time" ? does 1u ns belongs to this range? CHARMM36 ff is available in gromacs website and we can download it and put them into top directory and then it works. It is not need to make any modification by ourselves.<br>
<br>
best<span class="HOEnZb"><font color="#888888"><br>
Albert</font></span><div class="im HOEnZb"><br>
<br>
<br>
On 04/26/2012 11:53 AM, Anirban Ghosh wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hello Albert,<br>
<br>
Thanks.<br>
Yes, CHARMM36 indeed handles lipids very well. But currently GROMACS 4.5.5 provides only the option for CHARMM27 FF and I found that ff43a1 very well preserves the characters of both the protein as well as the lipids for fairly long simulation time, hence I used that FF in the tutorial. But one can surely add CHARMM36 to GROAMCS by doing all the necessary topology conversions.<br>
<br>
<br>
Regards,<br>
<br>
Anirban<br>
</blockquote>
<br></div><div class="HOEnZb"><div class="h5">
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