[gmx-users] disulfide bond missing even with -ss

MD refmac5 at gmail.com
Sun Jan 21 16:23:49 CET 2018


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?
>> Thanks,
>> Ming
>>
>
>


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