[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



















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