[gmx-users] cutoff for implicit solvent in gromacs4.5

[Per Larsson]

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 skrev BIN ZHANG:

> But the problem is with this set up, I will always get a "Segmentation fault" with gromacs VERSION 4.5-beta2.
> 
> Is this supposed to be a bug or for this version, I can only use a large cutoff?