Did you noticed that the number of TIP5P water molecules is about half of what's needed to fill the box. I think that's why your box collapsed.
JW On 4/23/07, kitty ji <[EMAIL PROTECTED]> wrote: > > > > > Dear GMX user, > > > > Explicated model of Poly (vinyl methyl ether) was built with ether > parameters in OPLS Force Field. The density and radius of gyration of PVME > melts fit experimental value well. And then it was solvated in Tip5p. > > > > In experiment, PVME should solvate in water well in ~300k. However, it > totally collapsed in my model. I have changed temperature and electricity > but no help. > > > > How can I find a acceptable model? Any suggestion will be appreciated !!!!!! > > > > I feel increasing the polarity of PVME maybe helpful. Is it right? > > > > Thanks in advance. > ************************************************* > Ji Qing > Polymer Physics > Institute of Chemistry, Chinese Academy of Sciences > Tel: 0086-10-62562894 ,82618423 > ************************************************* > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read > http://www.gromacs.org/mailing_lists/users.php > -- Jianwen A Feng Center for Computational Biology Washington University in St. Louis
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php