Closed sanaper-cloud closed 2 years ago
Hello @sanaper-cloud,
I have no clue what are you trying to achieve. Could you tell me how to reproduce the issue?? or upload a working example maybe? Otherwise I cannot do a thing.
Best regards, Hernan
I need lammps file by converting .gro and .top file. I am using two types of molecules SOL and ETH
Hello @sanaper-cloud,
I think there could be some naming mismatch between some molecules (tag), and molecule definition. But I am not sure, since I don't know what is in your files. You can check the examples folder that comes with GRO2LAM.
Best, Hernan
Writing Lammps data file...
------- ATOM STYLE < FULL > --------
============== Still in BETA here ==============
Sidemols: 4600
New side molecule : SOL 1st atom : OW hop! SOL here 0
New side molecule : ETH 1st atom : C hop! ETH here 0 **** Unhandled case 001