<DIV>
<DIV>Thanks, Anton and users,</DIV>
<DIV> </DIV>
<DIV>I understand this should reply on time scale and size, also forces applied, but I tried a few examples and could not see how those atoms are broken and separated.</DIV>
<DIV> </DIV>
<DIV>I still need your help</DIV>
<DIV>How can we see the broken molecules? when apply surface-tension or pull force?</DIV>
<DIV> </DIV>
<DIV>Best regards,</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV><B><I>Anton Feenstra <feenstra@chem.vu.nl></I></B> wrote:</DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">Albert Sun wrote:<BR><BR>> Hi, Dear users,<BR>> <BR>> If I have a group of molecules, and an anisotropic pressure or surface_tension is applied to the group of molecules. It will be broken when the forced reach certain value, and we should see the separation on screen of atoms.<BR>> <BR>> However, what I noticed is: the atoms are continually moving in a direction, no broken and no separated movement of atoms can be viewed.<BR>> <BR>> Would appreciate if you could highlight me on this.<BR><BR>First thing I could think of is that separation may only occur at (much?)<BR>longer timescales than that you are simulating and looking at.<BR>Second, I can imagine that depending on the size of your system, it could<BR>have different behaviour. E.g. the separation you expect may actually be<BR>unfavourable for a 'small' system size, take for example that a box of<BR>(spc)
water in an MD simulation will not boil when the temperature is raised.<BR><BR><BR>-- <BR>Groetjes,<BR><BR>Anton<BR>_____________ _______________________________________________________<BR>| | |<BR>| _ _ ___,| K. Anton Feenstra |<BR>| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |<BR>|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |<BR>| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |<BR>| | Feenstra@chem.vu.nl - www.chem.vu.nl/~feenstra/ |<BR>| | "If You See Me Getting High, Knock Me Down" |<BR>| | (Red Hot Chili Peppers) |<BR>|_____________|_______________________________________________________|<BR><BR><BR>_______________________________________________<BR>gmx-users mailing list<BR>gmx-users@gromacs.org<BR>http://www.gromacs.org/mailman/listinfo/gmx-users<BR>Please don't post (un)subscribe requests to the list. Use the <BR>www interface or send it to gmx-users-request@gromacs.org.</BLOCKQUOTE></DIV><p><hr SIZE=1>
Do you Yahoo!?<br>
<a href="http://antispam.yahoo.com/whatsnewfree">Protect your identity with Yahoo! Mail AddressGuard</a>