I want to run Molecular dynamics in windows 7 via VMD along with NAMD.
Experts answers needed.Thanks in advance
http://www.ks.uiuc.edu/Research/vmd/imd/tutorial/
I am working with DIM(3,3'-Diindolylmethane ) and optimize it by using gaussian09.Now,I want to ONIOM analysis but I don't understand which part I select as high and low layer for 2 layer ONIOM...
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Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...
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Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...
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I attempted to make a privately uploaded text public but a window appeared that said an error occurred. There was no explanation provided as to why there was an error or what might be done to...
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kindly reply me. Thanking you in advance.
05 August 2024 7,727 4 View
I have protein-membrane simulations (PDB, PSF, DCD) and have noticed that water molecules near the protein are not visible in the simulations. How can I fix this issue? Is there a way to place the...
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Hello guys! Do you have experience running a Oaxaca-Blinder decomposition on R applying person weights. How do you suggest doing it? I have a variable PERWT which gives more information on how...
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Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
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I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
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Molecular docking software/ websites?
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Hello Everyone I have a question about structure for connectivity analysis on sources. My goal: preprocess and cut data into trials create headmodels, using template MRI file perform source...
30 July 2024 2,744 1 View