sorry to say I can not found a center for the trj. I tried to make bigger box
by trjconv -box -boxcenter, but it seems that the trj only exist in the old box
area ,bigger box cannot stop jumps.
Is it really happened that I can do nothing with it ?
yuanyuan wang
Message: 1
Date: Fri, 7 Jan 2011 02:56:08 -0800
From: Amit Choubey <[email protected]>
Subject: Re: [gmx-users] trjconv with multiple chains
To: Discussion list for GROMACS users <[email protected]>
Message-ID:
<[email protected]>
Content-Type: text/plain; charset="iso-8859-1"
Make your box bigger?
2011/1/6 yuanyuan wang <[email protected]>
> 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 [email protected]
> 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 [email protected].
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
--
gmx-users mailing list [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
