[gmx-users] confusion regarding tpbconv
Anamika Awasthi
aawasthi28 at gmail.com
Tue May 13 06:59:26 CEST 2008
Dear Xavier
Thanks for your help, after running my tpbconv I got this
Reading toplogy and shit from 2ao2_tpxout.tpr
Reading file 2ao2_tpxout.tpr, VERSION 3.3 (single precision)
READING COORDS, VELS AND BOX FROM TRAJECTORY 2ao2_tpxout.trr...
trn version: GMX_trn_file (single precision)
Read frame 7745: step 0 time 0.000
Using frame of step 0 time 0
Opened md2.edr as single precision energy file
Reading frame 0 time 0.000
READ 3 PRESSURE COUPLING MU'S FROM md2.edr
nsteps = 10000000, run_step = 0, current_t = 0, until = 20000
Extending remaining runtime until 20000 ps (now 10000000 steps)
Writing statusfile with starting step 0 and length 10000000
steps...
time 0.000 and length 20000.000
here it is written that strating step is 0.
Sorry for asking silly questions again and again, but really I am confused
that it is taking step 0 from last frame of my old.trr and generating
new.trr file. My 7ns simulation had over before crash and I want to simulate
my job for 20ns.
So, Hope It will strat simulation from 7ns and will rum tilll 20 ns.
Please Help me to understand this.
Thanks a lot
Anamika
>
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080513/a616aa8d/attachment.html>
More information about the gromacs.org_gmx-users
mailing list