[gmx-users] disulfide bond missing even with -ss
refmac5 at gmail.com
Sun Jan 21 16:29:13 CET 2018
I modified the specbond.dat and change the cutoff to be 2.04A, still
On Sun, Jan 21, 2018 at 10:23 AM, MD <refmac5 at gmail.com> wrote:
> I have also tried renaming my two CYS to be CYS2 but no luck either.
> On Sun, Jan 21, 2018 at 10:22 AM, MD <refmac5 at gmail.com> wrote:
>> gromacs did ask me to confirm linking the two cys before the run, but I
>> didn't see any log saying the bond is formed.
>> On Sun, Jan 21, 2018 at 10:19 AM, MD <refmac5 at gmail.com> wrote:
>>> Hi Gromacs folks,
>>> I realized I kept losing disulfide bond after gmx. The length is 2.01A
>>> but I did use -ss when pdb2gmx. Any thoughts?
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