Hi,
Sounds like you're trying to mix the input of two packages that may not
have been designed to work together. Don't do that. The warning that the
files have atoms that are ordered differently surely heralds disaster if
you were to proceed.
Mark
On Tue, Feb 20, 2018, 07:39 abhisek Mondal
Hi,
I'm getting an unusual warning whenever I execute *$ grompp -f em.mdp -c
solv.gro -p topol.top -o ions.tpr *
saying:
*Warning: atom name 4687 in topol.top and solv.gro does not match (C1B -
N7N)*
*.*
*..*
*WARNING 1 [file topol.top, line 44227]:*
* 71 non-matching atom names*
*
Dear gromacs users,
I’m planing to perform several CG simulations of different biological membranes
in the presence of an specific protein.
In order to create the membranes, i’m currently using the insane script to make
different kind of mixture (POPC alone, POPC-MGDG 5:5, POPC-SQDG 5:5, and
Hi Tsjerk,
First of all thanks for your quick and kind reply.
So you say that instead of using:
lipidsx[moltype] = (0, .5, 0, 0, .5, 0, 0, .5, 0,0, .5,
0,0,0, 0,0,0,0, .5, 0, 0, 0, 0, 0, 1, 1,
1, 1, 1)
lipidsy[moltype] = (0,
