Re: [gmx-users] running job parallel

e don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- --- Saikat Banerjee Integrat

[gmx-users] Is it possible to pull 2 different groups with respect to a third group as reference?

I have 3 groups on the system, and I want to pull 2 groups with respect to the 3rd one. Is it possible in GROMACS? Thanking you, Saikat -- --- Saikat Banerjee Integrated Ph.D student Prof B. Bagchi's group Room no. 210 Solid

[gmx-users] How to calculate solvation energy?

-- --- Saikat Banerjee Integrated Ph.D student Prof B. Bagchi's group Room no. 210 Solid State and Structural Chemistry Unit (SSCU) Indian Institute of Science Bangalore-560012   Ph: +91-80-22933305 (lab)       +91-80-23602338 (lab)       +91-9980228606  (m

[gmx-users] How to select the molecules within a defined radius

the number of water and DMSO molecules within that cut-off. I would like to know if there are any methods to do the same within GROMACS. Thanking you, Saikat -- --- Saikat Banerjee Integrated Ph.D student Prof B. Bagchi's group

Re: [gmx-users] How to select the molecules within a defined radius

> > > Saikat Banerjee wrote: >> I am doing some simulations in binary solvent water and DMSO using ffG43a6 >> forcefield. I need to calculate the composition fluctuation of the solvent. >> I have done that with hand-written codes using the trajectory files >> g

Re: [gmx-users] Analysis of a simulation

7;t post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > Cheers, Saikat ---

[gmx-users] .itp file for DMSO needs to be changed - bug report

s makes it work. I just thought I would report this issue so that users know where the problem is. I would like to request the GROMACS team to take note of it and do the needful. Thanks, Saikat B. -- ------- Saikat Banerjee Integrated Ph

[gmx-users] Selecting a force field for dioxane

-- --- Saikat Banerjee Integrated Ph.D student Solid State and Structural Chemistry Unit (SSCU) Indian Institute of Science Bangalore-560012 --- -- gmx-users mailing list

[gmx-users] Saikat Banerjee wants to stay in touch on LinkedIn

LinkedIn Saikat Banerjee requested to add you as a connection on LinkedIn: -- Chinmay, I'd like to add you to my professional network on LinkedIn. - Saikat Banerjee Accept invitation from Saikat Banerjee http://www.linkedin.com/e/-8