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<div>You can get most of these tabulated in a CRC book, an older one is easier to read (circa <1988), online through the international union of physics and chemsitry web site(s), or look over the partial force field (54a7) and locate the same bonds/angles such as aminos and nucleic acids, as the sugar/ring other things will have roughly all the info with just different naming schemes for atoms/residues...</div>
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<div>Stephan Watkins</div>
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<div style="margin:0 0 10px 0;"><b>Gesendet:</b> Dienstag, 18. März 2014 um 00:05 Uhr<br/>
<b>Von:</b> dan42 <danpeg@comcast.net><br/>
<b>An:</b> gmx-users@gromacs.org<br/>
<b>Betreff:</b> [gmx-users] PEG residue</div>
<div name="quoted-content">I am new to GROMACS. I am trying to use pdb2gmx to create a topology for PEG<br/>
(O-C-C)n with only H on one terminal and OH on the other. I know that I need<br/>
to add a residue entry to the forcefield for example to aminoacids.rtp in<br/>
the gromos54a7.ff folder. However, I do not know how to construct the<br/>
residue entry. I do know the format but I do not know what values to enter<br/>
for bonds, angles, dihedrals ect. Can anyone help me?<br/>
<br/>
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