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<P><FONT SIZE=2>Dear Martini and GROMACS users,<BR>
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I am trying to perform thermodynamic integration on cg simulations using the Martini FF and GROMACS version 3.3.1 with double precision<BR>
on a system containing a protein, lipids, water and Cl- ions. In the first test runs I tried to change the Martini atom type Qd to Q0,<BR>
with a lambda of 0.5 and 0.25. The test simulations (2ns) are running, but the dgdl.xvg file writes out zeros. Also the mdrun option -sepdvdl shows that the energies are zero. I am using the mdp file from the Martini homepage and added the parameters for TI at the very end. I did not change any other parameter in the mdp file. I am right now out of ideas, how to solve this problem. Has anyone experienced this problem before?<BR>
<BR>
Caro<BR>
<BR>
<BR>
<BR>
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