_gmx-users-boun...@maillist.sys.kth.se
[gromacs.org_gmx-users-boun...@maillist.sys.kth.se]" im Auftrag von
"Justin Lemkul [jalem...@vt.edu]
Gesendet: Freitag, 17. April 2020 13:10
An: gmx-us...@gromacs.org
Betreff: Re: [gmx-users] atomtype "OE" in charmm36
On 4/17/20 4:4
Dear Gromacs users,
I want to simulate polyethylene glycol and I am using a script to build my .itp
and .gro files. The script is designed to work with charmm35r, however I only
found charmm36 available now (I read, that c35r was only temporary). I thought,
it should work with this version as w
-us...@gromacs.org
Betreff: Re: [gmx-users] PEG from ATB: No residues in chain
Hi,
On Wed, Mar 4, 2020 at 4:11 PM Schirra, Simone
wrote:
> Dear Gromacs users,
>
> I'm totally new to GROMACS and I want to simulate a PEG chain in
> different environment. I found various PEG topo
Dear Gromacs users,
I'm totally new to GROMACS and I want to simulate a PEG chain in different
environment. I found various PEG topologies on the ATB website and tried to use
them combined with the force field provided on the website. However, I always
get a warning like this:
"Warning: No res
