hi everyone,<div><br></div><div>I guess if i knew the exact format of .gro files i could write a small code to copy data from pdb to gro . I cannot find this info anywhere. I believe that it has co-ordinates and velocities but how are the velocities choose (randomly?). I am also not sure abt the exact order.</div>
<div><br></div><div>Amit<br><br><div class="gmail_quote">On Wed, Sep 9, 2009 at 5:29 PM, Amit Choubey <span dir="ltr"><<a href="mailto:kgp.amit@gmail.com">kgp.amit@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
hi everyone,<div><br></div><div>I have a pdb file of my system and i want it to be fed into the GROMACS software. I have a new force field for the simulation and i have made the .top file manually which includes the new library FF files. I need to get a .gro file from the .pdb file that i have. So, is there a way out to do this without incorporating pdb2gmx because i dont use the standard FF and i dont really have all the other datafiles for the new FF except for necessary bond and nonbonded infos.</div>
<div><br></div><font color="#888888"><div>Amit</div>
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