<div>Hi</div>
<div> </div>
<div>Thanks for your response, I am allowing the two groups (frozen and non-frozen) groups interact each other, i guess i am getting the energy of total system from g_energy.</div>
<div> </div>
<div>I checked the velocities of frozen group atoms, they are not "zero". I have seen in git master that this problem was fixed and updated in md.c file, I have downloaded this from git master and compiled my gromacs again still i found that frozen atoms gets the initial velocity.</div>
<div> </div>
<div>I am not at all clear why the energy of system should blow up, can you please help me if there is solution for this.</div>
<div> </div>
<div>Thanks in advance.</div>
<div> </div>
<div>Srinivas.<br><br></div>
<div class="gmail_quote">On Wed, Apr 7, 2010 at 4:47 PM, ms <span dir="ltr"><<a href="mailto:devicerandom@gmail.com">devicerandom@gmail.com</a>></span> wrote:<br>
<blockquote style="BORDER-LEFT: #ccc 1px solid; MARGIN: 0px 0px 0px 0.8ex; PADDING-LEFT: 1ex" class="gmail_quote">jampani srinivas ha scritto:<br>
<div class="im">> Dear Berk,<br>><br>> I am sorry if i am confusing you with my poor description of problem,<br>> actually I have submitted simulation with two temperature coupling groups (i<br>> think you already know that from our earlier conversations) and found that<br>
> there is a continuous increase in the total energy of the system. I could<br>> not observe any blowing in the output file but the system energy is<br>> continuously increasing, i am using 4fs time step here. Can you please let<br>
> me know if i have to give more details?<br>><br><br></div>Which part of the system is increasing its energy?<br><br>m.<br><font color="#888888">--<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>
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</font></blockquote></div><br><br clear="all"><br>-- <br>*********************************************<br>J. Srinivasa Rao <br>Post-doctoral Research Associate<br>C/o Prof. Luis R Cruz Cruz<br>Computational Biophysics Group<br>
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