[gmx-users] trjconv with multiple chains

Amit Choubey kgp.amit at gmail.com
Fri Jan 7 11:56:08 CET 2011

Make your box bigger?

2011/1/6 yuanyuan wang <yilin3201 at 126.com>

> dear all,
>          I am doing a simulation that have many chains in a box , and I can
> find a center for them after serval tries.
>          I use almost every option of trjconv,-pbc
> mol,atom,res,whole,nojump , -ur compact, -center , -box to got bigger box,
> and -boxcenter, -fit ..
>          still some chain cannot convert into box. them jump from one box
> to another ,
>          is there any ways that they not jump to another box?
>          thanks a lot.
> yuanyuan
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110107/47cd8325/attachment.html>

More information about the gromacs.org_gmx-users mailing list