Hi Gromacs Users ,<br> I simulated a 4 peptide in a box .<br> After completion of 30 ns simulattion , I extract <br>the particular time frame 29000 ps of my interest.<br> Now I want these frame for my next simulations <br>
study ..<br>In one simulation I want to keep the box size same as the <br>mentioned in extracted pdb and in another one I need to change the size of box to <br>70 70 70 <br><br><br>
REMARK GENERATED BY TRJCONV<br>
TITLE Protein in water t= 29000.00000<br>
REMARK THIS IS A SIMULATION BOX<br>
CRYST1 45.096 45.096 45.096 90.00 90.00 90.00 P 1 1<br>
MODEL 1<br>
<br> So my queries are like <br><br>1. Should I used the extracted frame directly for further study or <br> I need to remove the periodicity...??????<br><br> 2 . to change the box size how to proceed ??<br> Should I delete the line manually and adjust the box size????<br>
<br><br>All suggestion are welcome ...<br><br><br>Than you in advance<br><br>rama david <br> <br><br><br><br><br><br>