Hi,
for implicit solvent, people generally use longer cut-offs, as you noted.
There can be many reasons for your seg. fault, however.
Did you do energy minimization before starting md?
Please also test the same system with using a cut-off to see if that works.
/Per
8 aug 2010 kl. 22.36
Dear all:
I have a question about the appropriate cut-off usage in implicit
solvent simulation. After googling for a while, I found most
references mentioning using non cut-off for these type of simulations.
For non cut-off, I assume in gromacs using the following parameters:
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