Hi Xiaodu,
The fudgeLJ under defaults should be 1.0 for GLYCAM. I'm unable to check my
own files right now so can't compare. When you run grompp check in the
output that fudge is set to 1.0. So there will be no protein in your
simulation correct? I think there is a way to do mixed scaling in groma
Hi Alan , Oliver
I have obtained the gromacs format files by amb2gmx.pl script, but I am
not sure if this flies are correct ,
because all of the [pairs](1-4 interaction) are zero in gromacs top files. I
don't know whether this files are correct or not.
Would you give me some advice? Th
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