Hey :)
Errm, trjconv does read coordinates, so when using -fit or -pbc
nojump, the results will depend on the structure file used.
Tsjerk
On 7/3/07, Mark Abraham <[EMAIL PROTECTED]> wrote:
> Hello all,
>
> Because of the limitations in run time, my simulations have broken into
> three parts: one.trr, two.trr, and three.trr. Each run has its
> corresponding
> tpr file. The original tpr file (minimization step) was start.tpr. Now
> using
> trjconv for three.trr which tpr file I need to type after -s option?
>
> trjconv -f three.trr -s start.tpr ....
>
> I am aware that the topology (information in the starting top file) will
> remain intact during simulation. I am wondering whether commands like
> trjconv read anything more than topology information (MD parameters, etc)
> from the -s option? In other words, in the above example replacing
> start.tprwith
> three.tpr will not change the outcome?
trjconv just needs any old structure file. You can see this if you follow
my suggestion at the top of this post
http://www.gromacs.org/pipermail/gmx-users/2007-July/028367.html
Mark
_______________________________________________
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
--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
_______________________________________________
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
