Re: [gmx-users] Turning off electrostatics between groups using custom tables?

2012-08-31 Thread Mark Abraham
On 1/09/2012 1:14 AM, Smitty wrote: Hi, I've been trying to turn off the electrostatic interaction between two groups (an ion-group and protein) by following the tutorial on custom table generation, but have seemed to have hit a road block. Looking at the structure of the sample 6-12 table provi

[gmx-users] Turning off electrostatics between groups using custom tables?

2012-08-31 Thread Smitty
Hi, I've been trying to turn off the electrostatic interaction between two groups (an ion-group and protein) by following the tutorial on custom table generation, but have seemed to have hit a road block. Looking at the structure of the sample 6-12 table provided in the topology directory, I const