..@maillist.sys.kth.se] on behalf of Justin
> Lemkul [jalem...@vt.edu]
> Sent: 16 December 2014 15:00
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] Renumber atom ids and charge group in topology (.itp)
>
> On 12/16/14 9:54 AM, Nash, Anthony wrote:
>> Dear gromacs use
org
Subject: Re: [gmx-users] Renumber atom ids and charge group in topology (.itp)
On 12/16/14 9:54 AM, Nash, Anthony wrote:
Dear gromacs users,
Renumbering the atom ids in a .gro file is very straight forwards, however,
after cutting out the first 1/2 of my protein I am having great difficul
ege London
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
[gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Justin Lemkul
[jalem...@vt.edu]
Sent: 16 December 2014 15:00
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Renumber at
On 12/16/14 9:54 AM, Nash, Anthony wrote:
Dear gromacs users,
Renumbering the atom ids in a .gro file is very straight forwards, however,
after cutting out the first 1/2 of my protein I am having great difficulty
aligning my .itp file upon running grompp. Till this stage, it has been far
ea
Dear gromacs users,
Renumbering the atom ids in a .gro file is very straight forwards, however,
after cutting out the first 1/2 of my protein I am having great difficulty
aligning my .itp file upon running grompp. Till this stage, it has been far
easier for me to remove one particular domain of
