Dear Gromacs users,<br>
<br>
I had a box with a solvated protein (minimized_water.gro) and used the
genconf to generate another box of protein surrounded by water (I
duplicated it). Well I could notice in the VMD that the .gro file
generated (minimized_2water.gro) really represents what I tried to do,
but when I tried to run a simulation I had the following fatal error:<br>
Fatal error: number of coordinates in coordinate file (minimized_2water.gro, 62744)<br>
does not match topology (aki.top, 31372)<br>
<br>
It is clear for me that the topology file was not updated, I mean it represents the first .gro file...<br>
So what should I do to update my .top file to run a simulation? I
thought about using the prodrg serve, but what I understood is that
this server generates topologies from pdb files, what is not the case.<br>
<br>
Many thanks in advance,<br>
Fernando Mattio