Re: [gmx-users] Re: lincs warning during simulatiion of open-to-close transitions

2013-01-17 Thread Justin Lemkul
On 1/17/13 1:24 PM, James Starlight wrote: In addition to LINCS warning during last simulation I obtained the next warning from mdrun (again that was when calmodulin reached close compact conformation) WARNING: Listed nonbonded interaction between particles 1230 and 1249 at distance 3f which i

[gmx-users] Re: lincs warning during simulatiion of open-to-close transitions

2013-01-17 Thread James Starlight
In addition to LINCS warning during last simulation I obtained the next warning from mdrun (again that was when calmodulin reached close compact conformation) WARNING: Listed nonbonded interaction between particles 1230 and 1249 at distance 3f which is larger than the table limit 3f nm. This is l