[gmx-users] problem regarding grompp

Hi all, I have been trying to simulate peptide (octa alanine). In genbox i have inserted 40 molecule of guanidium ion 800 water molecule (by -ci maxsol option in gromacs 3.3.3)then again with genbox i added 40 molecules of thiocynate ion 80 water molecules as above mentioned way. When i tried

Re: [gmx-users] problem regarding grompp

[EMAIL PROTECTED] wrote: Hi all, I have been trying to simulate peptide (octa alanine). In genbox i have inserted 40 molecule of guanidium ion 800 water molecule (by -ci maxsol option in gromacs 3.3.3)then again with genbox i added 40 molecules of thiocynate ion 80 water molecules as above