Hi,
Not as of yet I’m afraid.
Erik
> On 3 May 2016, at 08:16, Nash, Anthony wrote:
>
>
> Hi all,
>
> Can gmx hbond accept user specified atoms for the donors (default OH and
> NH) and acceptor (default O and N)? I don¹t seem to find any mention of
> this in the -help text.
>
> I have a post
On 5/3/16 5:21 PM, Nash, Anthony wrote:
Thanks Justin,
I’ll give that a try. I assume this approach would still require the .trr
to be converted to a .gro file, and then the customised names
‘search-replaced’ with the respective ‘fake’ names?
No. Names are read from the reference coordina
Thanks Justin,
I’ll give that a try. I assume this approach would still require the .trr
to be converted to a .gro file, and then the customised names
‘search-replaced’ with the respective ‘fake’ names?
Thanks
Anthony
On 03/05/2016 16:22, "gromacs.org_gmx-users-boun...@maillist.sys.kth.se on
be
On 5/3/16 9:16 AM, Nash, Anthony wrote:
Hi all,
Can gmx hbond accept user specified atoms for the donors (default OH and
NH) and acceptor (default O and N)? I don¹t seem to find any mention of
this in the -help text.
It's hard-coded in the source, so it's rather inflexible.
I have a post
Hi all,
Can gmx hbond accept user specified atoms for the donors (default OH and
NH) and acceptor (default O and N)? I don¹t seem to find any mention of
this in the -help text.
I have a post-trans modified protein from a rather bulk cross-linked
peptide chain. I defined unique atom times but I h