On 9/8/17 10:19 AM, Momin Ahmad wrote:
Hi Justin,
could you provide me a link to some tutorials that focus more on the
program structure than on the results of simulations? I did some
protein simulation tutorials that did not really help me in
understanding the software itself. Big thanks
Hi Justin,
could you provide me a link to some tutorials that focus more on the
program structure than on the results of simulations? I did some protein
simulation tutorials that did not really help me in understanding the
software itself. Big thanks in advance.
Cheers,
Momin
Am 08.09.2017
On 9/8/17 5:50 AM, Momin Ahmad wrote:
Thank you for your help. I already did that but i get a weird error
that i can not solve. I attached the topology files and the error
message. Maybe the numbering of the residues has to be changed? Thanks
in advance.
You have lots of missing
Thank you for your help. I already did that but i get a weird error that
i can not solve. I attached the topology files and the error message.
Maybe the numbering of the residues has to be changed? Thanks in advance.
Cheers,
Momin
Am 07.09.2017 um 21:08 schrieb Justin Lemkul:
On 9/7/17
On 9/7/17 10:19 AM, Momin Ahmad wrote:
Hello all,
is there a simple way to merge two or more topology files into one? I
am trying to use grompp to set up a simulation but my solvation
contains different molecules which have different .top files. I also
tried creating a main topology file
Hello all,
is there a simple way to merge two or more topology files into one? I am
trying to use grompp to set up a simulation but my solvation contains
different molecules which have different .top files. I also tried
creating a main topology file which includes the other two topologies
