Re: [gmx-users] disulfide bridges

2020-05-02 Thread Miro Astore
Oh thank you so much, I did not know it was a reference value. Given a range of values might exist in one system I'm guessing minimization would be the only way to deal with such a situation. Best, Miro On Sat, May 2, 2020 at 9:53 PM Justin Lemkul wrote: > > > On 5/2/20 6:54 AM, Miro Astore wro

Re: [gmx-users] disulfide bridges

2020-05-02 Thread Justin Lemkul
On 5/2/20 6:54 AM, Miro Astore wrote: Hi all, I'm trying to make a protein with a fair few disulfide bridges and I couldn't get it to work. I chose -ss yes and increased the minimum distance in specbonds.dat but it doesn't seem to want to let me see all possible pariings. specbond.dat does

[gmx-users] disulfide bridges

2020-05-02 Thread Miro Astore
Hi all, I'm trying to make a protein with a fair few disulfide bridges and I couldn't get it to work. I chose -ss yes and increased the minimum distance in specbonds.dat but it doesn't seem to want to let me see all possible pariings. Any way I can nudge it in the right direction without performi