<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:arial,helvetica,sans-serif;font-size:10pt">Thanks a lot Justin for the reply.<br>I have already seen that post. But the problem is that there is no clear answer in it. Hess says that there NO G43b1 force-field now in GROMACS and G43b1 was just a modified version of G43a1 but with no residue charges. So this means that there in no vacuum force-field in GROMACS now or can I use any of other 8 force-fields for this purpose? Please rectify if I am wrong and please tell me force-field number which has the same properties as G43b1. What are following two force-fiels used for:<br><br>6. [DEPRECATED] Gromacs force field (see manual)<br>8. Encad all-atom force field, using scaled-down vacuum charges<br><br>There is no description in the GROMACS4 manual or the pdb2gmx man page. Please update the information.<br><br>Regards,<br><br><div> </div><div><font
color="#0000bf" size="4"></font> </div><div style="color: rgb(0, 0, 191);"><strong>Anirban Ghosh</strong></div><div style="color: rgb(0, 0, 191);"><strong>Grade Based Engineer<br>Bioinformatics Team<br>Centre for Development of Advanced Computing (C-DAC)<br>Pune, India<br></strong></div><div><br></div></div><br>
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