Dear all,
I am Himesh Makala pursuing doctoral studies at SASTRA University, India. I am in finishing stage of my PhD work. As part of my research work, I have performed few molecular dynamic simulations for my protein target (~300 aa's) using Desmond software(Schrodinger) and licence got over now for the software. My doctoral committee members suggested me to perform an additional MD simulation for comparison purpose. Since I don’t have the license with me I request you to help me to run the simulation. Kindly let me know if you are willing to provide the access to the Desmond software.
my email id: [email protected]
Your help in this matter is greatly appreciated and Thanks in advance.
Yours sincerely
Himesh
I think you can try using GROMACS for MD simulations that is freely available . http://www.gromacs.org/
Thank you very much for your suggestion sir. But here the server working speed to very slow and couldn’t able to finish the 50ns simulations even after a month. Hence, looking for alternate options.
Few years back Bharathidasan University/Bioinformatics department has the Schrodinger.. Contact someone there and find it out if they still have the license. I think this is the best option.. Go there and run simulations.
Try BRAF, CDAC Pune free supercomputer access. I think within 1 week you'll get access and do your simulation. Still it not won't work out, then you are free to collaborate with us.
@vijayan Ramachandran: Thank you very much for your help. As you suggested, I have sent a mail to each faculty but I didn't get any response from any of them.
@Krishnendu Bera: Thank you very much for your suggestion. I have sent a request regarding the same. Hope I will start the simulation soon.
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