Dear All:I am going through the Justin Lemku tutorial for KALP15 in DPPC. I have reached step three, when I try to generate a trp file for DPPC only by means of :
grompp -f minim.mdp -c dppc128.gro -p topol_dppc.top -o em.tpr I get the following warning: WARNING 1 [file minim.mdp]: The sum of the two largest charge group radii (10.651017) is larger than rlist (1.200000) which causes grompp to be terminated. Fatal error: Too many warnings (1), grompp terminated. If you are sure all warnings are harmless, use the -maxwarn option.I do not know if I should ignore this warning and use -maxwarn, or if I must modify the mdp file.
By the way, I have assigned values from 1.0 to 1.4 to rlist, rcoulomb and rvdw, but I get the same warning all the time...
Any idea as to what causes this problem? Much obliged for your help. Cheers, Ramon
<<attachment: ramon.vcf>>
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