Re: [gmx-users] Re: Salt-bridge segmentation fault

2013-02-07 Thread Kavyashree M
Thank you, I have noticed this in the output of the g_saltbr. Later I separated the files according to what ever I require. My worry was only that of the dimeric interface which could not be seen because it is separated. I will try by giving a separate tpr file without water. Thank you Kavya O

Re: [gmx-users] Re: Salt-bridge segmentation fault

2013-02-07 Thread Justin Lemkul
On 2/7/13 6:42 AM, Kavyashree M wrote: Dear users, After simulation dimers appear separated, I was able to do saltbridge calculation on this. This will be different than doing it on a dimer which are together. Am I correct? Most Gromacs tools handle PBC well for simple metrics like measurem

[gmx-users] Re: Salt-bridge segmentation fault

2013-02-07 Thread Kavyashree M
Dear users, After simulation dimers appear separated, I was able to do saltbridge calculation on this. This will be different than doing it on a dimer which are together. Am I correct? Please reply.. Thank you Kavya On Thu, Feb 7, 2013 at 3:39 PM, Kavyashree M wrote: > Dear users, > > While c