- When I'm trying to use the antechamber in amber version 16, I couldn't proceed using it to generate parameters, topology and coordinate files as I got this type of error.
- The error mentioning that the acdoctoral mode is on : check and diagnosis the problem in input files.
- Can I get a proper guidance from someone to fix this problem or suggest me other ways or tutorial that can guide me to generate parameter topology and coordinate files in (prmtop/rst7) format for amber force field in order to prepare my non - standard small residues for molecular dynamic simulation.
thank you in advanced
Priya Murugan
Michele Bonus
, but in my case, the mol2 file has not been produced and even in the sqm. out file, the calculation was not completed. So, am I still ready to proceed using parmchk. BTW, thank you a lot for the previous answer. appreciated !!
0 votes
0 thanks
Priya Murugan
Michele Bonus
for your information, I'm a beginner at this computational study and I'm trying to learn day by day. If I don't understand something, I will ask. The question I asked may sound stupid to you but it's a learning process for me. Thank you for the answer anyways.
0 votes
0 thanks
Priya Murugan
Michele Bonus
really sorry, that was a misunderstanding !! thank you, with your suggestion, I'm able to fix the problem.
0 votes
0 thanks
- Badges
- Science topic
- Similar topics
- Biological Science
- Histology
- Fixatives
Similar questions and discussions