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<blockquote type=cite class=cite cite>It seems to me that some of you are
using gromacs to model polymers. I would like to do this also with small
PEO molecules. However Gromacs gives me errors in writing the gro file.
Should I be using a different force field? How do I get one and put it
into gromacs?</blockquote><br>
You need to generate/calculate the force field parameters for the EO
atoms first for which every force field you are using. I haven't
noticed anyone that has done so for the current up to day ones within
GROMACS, though may be OPLS?<br><br>
Catch ya,<br>
<x-sigsep><p></x-sigsep>
<b>Dr. Dallas Warren<br>
</b><i>Research Fellow<br>
</i>Department of Pharmaceutical Biology and Pharmacology<br>
Victorian College of Pharmacy, Monash University<br>
381 Royal Parade, Parkville VIC 3010<br>
<font color="#0000FF"><u>dallas.warren@vcp.monash.edu.au<br>
</u></font>+61 3 9903 9083<br>
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