Hi Justin,
Thanks for the reply. Will download now.
Thanks,
Lauren
On 13/03/2018 17:50, Justin Lemkul wrote:
On 3/13/18 5:47 AM, laurenmr wrote:
Hi Mark,
Thanks for the reply. I will contact the relevant person!
This was a bug very briefly when the latest tarball went online. I
fixed
On 3/13/18 5:47 AM, laurenmr wrote:
Hi Mark,
Thanks for the reply. I will contact the relevant person!
This was a bug very briefly when the latest tarball went online. I fixed
it months ago.
Please just download the latest tarball from
http://mackerell.umaryland.edu/charmm_ff.shtml#grom
Hi Mark,
Thanks for the reply. I will contact the relevant person!
Thanks,
Lauren
On 13/03/2018 17:40, Mark Abraham wrote:
Hi,
Yes, I guess it must be somehow incompatible. Maybe it worked with an older
version of GROMACS that worked differently - the mdp handling has had some
cleaning up o
Hi,
Yes, I guess it must be somehow incompatible. Maybe it worked with an older
version of GROMACS that worked differently - the mdp handling has had some
cleaning up over time, and some buggy behaviours may have been
inadvertently depended on. Perhaps this should be brought to the attention
of wh
Hi Mark,
Thanks for the reply.
I use GROMACS-5.1.4 and I just use standard Linux editors. Please find
my mdp file attached.
When I check in the file "old_c36_cmap.itp" I do find very long lines (>
4095 characters). Could this mean that this force field file is not
compatible with this versi
Hi,
What version of GROMACS is this? Did you edit your file using an unsuitable
editor, such as anything on Windows?
Mark
On Tue, Mar 13, 2018 at 9:20 AM laurenmr wrote:
> Hi Gromacs Users,
>
> I have downloaded the latest version of the CHARMM36M force field. My
> aim is to compare a simulati
Hi Gromacs Users,
I have downloaded the latest version of the CHARMM36M force field. My
aim is to compare a simulation using CHARMM36M and CHARMM36. In the
forcefield.itp there is an 'if' statement allowing the user to switch to
the old CHARMM36 force field by directing to the old cmap itp: