use editconf -f file.pdb -o file.gro<br><br clear="all">Manik Mayur<br>Graduate student<br>Microfluidics Lab<br>Dept. of Mechanical Engg.<br>IIT Kharagpur<br>INDIA<br>
<br><br><div class="gmail_quote">2009/9/10 Amit Choubey <span dir="ltr"><<a href="mailto:kgp.amit@gmail.com">kgp.amit@gmail.com</a>></span><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; 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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