Dear community,<br><br>I have a couple of doubts, please help me to clarify.<br>
<br>
I performed 4 MD simulations using Gromacs (each one of 1ns, 2ns, 3ns
,4ns) , they are only a continuation of the last, because of I was
explored the rmsd variation along the time. Now I want to merge all the
trajectories to do only one plot of 10ns.<br>
<br>
So, I did:<br>
<br>
trajcat -f md_1ns_noPBC.xtc md_2ns_noPBC.xtc md_3ns_noPBC.xtc md_4ns_noPBC.xtc -o TOTAL_10ns_noPBC.xtc<br>
<br>
The program showed this:<br>
<br>
File Start time Time step<br>
---------------------------------------------------------<br>
md_1ns_noPBC.xtc 0.000 ps 2.000 ps<br>
md_2ns_noPBC.xtc 0.000 ps 2.000 ps WARNING: same Start time as previous<br>
md_3ns_noPBC.xtc 0.000 ps 2.000 ps WARNING: same Start time as previous<br>
md_4ns_noPDB.xtc 0.000 ps 2.000 ps WARNING: same Start time as previous<br>
<br>
I am worry about the message 'WARNING: same Start time as previous', I
think is normal because each simulation is like independent, that is the
reason why start time is take as 0ps.<br>
<br>
Please tell me If my command line is correct according to my purposes.
By the way, to make the plot (RMSD 10ns) I plan to do it with -s
md_1ns.tpr, is it correct?<br><br>Thank you in advance.<br><br>Miguel Quiliano.<br><br><br>