[gmx-users] Gromacs

Dilip H N cy16f01.dilip at nitk.edu.in
Thu Jan 12 10:19:05 CET 2017

i have a molecule of an acid...
how can i create a topology file from that and do the simulation..??
i cant use gmx pdb2gmx -f file.pbd -o file.gro ....
since it asks force feild , and thn water model..??
i dont want water to be added (since it is asking water model)...
how can i proceed with my acid molecule for simulation..??

Thank you...

With Best Regards,

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