I am a newbie in Lammps. I am trying to start with study on the morphology of a 3M membrane. When I tried to run my job, it just showed “No bonds allowed with this atom style”. At the beginning I thought it was because I had the proton move freely, but now I am bounding proton to water as hydronium and it still shows the same error. Looking up the error in manual, I got “Self-explanatory.”. But it is just hard to figure out where it is from. Do you think it is because of the hydronium. BTW, the -SO3 group lost a proton to hydronium.
I made the input file by transformation from Materials Studio modelling. Could you help me take a look at the attached file? I appreciate any suggestions. Thanks.
Dongsheng Wu
// error check on consistency of header values
if ((atom->nbonds || atom->nbondtypes) &&
atom->avec->bonds_allow == 0)
error->one("No bonds allowed with this atom style");
I am a newbie onLammps. I am trying to study the morphology of a membrane. When I tried to run my job, it just showed “No bonds allowed with this atom style”. At the beginning I thought it was because I had the proton move freely, but now I am bounding proton to water as hydronium and it still shows the same error. Looking up the error in manual, I got “Self-explanatory.”. But it is just hard to figure out where it is from.
I made the input file by transformation from Materials Studio modelling. Could someone help me take a look at the attached file? I appreciate any suggestions. Thanks.
Dongsheng
// error check on consistency of header values
if ((atom->nbonds || atom->nbondtypes) &&
atom->avec->bonds_allow == 0)
error->one("No bonds allowed with this atom style");
If your data file defines bonds, then you have to use
an atom_style which allows for bonds, such as "bond" or "full".
See the atom_style doc page for details.