Aquí hay otro video que puede ayudar. kzbin.info/www/bejne/bXW3qqiba7yhY9E

same! did you manage to instal it?

You can try fix ave/chunk function of lammps. docs.lammps.org/fix_ave_chunk.html Alternatively, use dump xyz and write a script in python yo calculate it.

@@SumithYD Thanks for your reply. I am using dump for animated movie of the simulation. Can you please provide me any resource? I am suing fix ave/chunk and then density/mass or density/number too but not getting anything like a droplet shape in the density profile. Is there any way that you could look at my script? I will be indebted to you.

You are welcome

i am trying to find it too.

I believe so, from chimera you can export the coordinates corresponding to the best scores of docking. Then you can create psf files and run MD using NAMD

Rc toy car, arduino, ultra sound sensors, h bridge motor driver, and capacitors

Lammps

Not really, it is for condensation. We can instead use atom death option. If not using either of these, then at a constant temperature the system equilibrates and evaporation stops after a certain time. Though I havent checked it myself ;)

@@SumithYD Thanks for your response. I want to model evaporation of water/IPA. I want to show a dry system after this evaporation. Do you think that deleting atoms works for it?

@@atefehtarokh9586 yes, it may work. But the thermodynamics associated with that process may not be realistic. Let say, the pressure, temperature, density is hard to match with reality.

Point taken. I am using RPLIDAR for the new project.

Sumith Yesudasan, and Maroo, Shalabh C. "Origin of Surface-Driven Passive Liquid Flows." Langmuir 32.34 (2016): 8593-8597.

I am not sure if I understand your question... 1) you can use vmd to create atoms/system and then convert it to lammps format (www.ks.uiuc.edu/Research/vmd/plugins/topotools/#TOC-writelammpsdata-file-name-atom-styl)....or 2) you can create your own matlab/python script to generate lammps data ...there are many in the internet (www.mathworks.com/matlabcentral/fileexchange/47977-water-gro-file-creation-generator-in-matlab?s_tid=prof_contriblnk)-- -- just make sure it is in the correct lammps data file format (lammps.sandia.gov/doc/2001/data_format.html) I prefer the option 1.

thank you sumith for your's reply. I am able to produce the file and but not able to call the file in lammps program. can you help me regarding this matter.

Anirban Das : sure, send me an email with details, I'll do my best.

can i get your email id ?

Anirban Das [email protected]

Hello Keshav, it was initially at 300 K and then heated to 350 K....

+Shaan Ahamed : Unfortunately our lab policy doesn't allow for sharing entire code.. But I can help you with heating/cooling code portion....check the section 3 in link pubs.acs.org/doi/suppl/10.1021/acs.jpclett.5b01627/suppl_file/jz5b01627_si_001.pdf Let me know if you need more help...