<DIV>Thanks, David !</DIV>
<DIV>How to equilibrate with freshly generated velocities?</DIV>
<DIV> </DIV>
<DIV>Regards,</DIV>
<DIV> </DIV>
<DIV><BR><BR><B><I>David <spoel@xray.bmc.uu.se></I></B> wrote:</DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">On Wed, 2004-06-09 at 20:45, Albert Sun wrote:<BR>> Dear Users.<BR>> <BR>> The problem is solved beause I used the same file name in genconf.<BR>> <BR>> I have another inquery on genconf. It is said that genconf multiplies<BR>> a given coordinate file by simply stacking them on top of each other,<BR>> like child playing wood blocks. It is OK for positions of atoms. <BR>> However, I found the velocity for all blocks are exactly the same, is<BR>> it correct ?<BR>just equilibrate for a while with freshly generated velocities. if you<BR>have a lot of order in your original system you may need to equilibrate<BR>long.<BR>> <BR>> Thanks in advance.<BR>> <BR>> Regards,<BR>> <BR>> Albert. <BR>> <BR>> <BR>> <BR>> ______________________________________________________________________<BR>> Do you Yahoo!?<BR>> Friends. Fun. Try
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