Is there a database to store molecular dynamics (MD) simulation trajectories?

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Mixed ANOVA - help?

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27 February 2021 9,626 4 View

How to perform a mixed-effects Poisson regression with mutliple DVs?

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Repeated measures ANOVA with technical replicates?

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Top-coded age and regression?

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Is there a guide that will help interpret Ponceau S staining for western blots?

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Developing Calprotectin Assay for Bovines- extraction buffer selection and centrifuge settings?

Hello, I am trying to adapt the human Calprotectin assay to use in bovines. For background, Calpotectin is a protein released by neutrophils following gastrointestinal inflammation. A couple...

16 March 2020 1,261 3 View

Are there additional practice datasets with code for Multiple-QTL Mapping in R/QTL other than the tutorial on the website?

Multiple-QTL Mapping in R/QTL

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Thickest sections possible for slide-mounted IHC of FFPE mouse brain tissue?

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Antibody recommendation for IHC anti-IL18 staining in mouse brain free floating slices?

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How do you analyze ELISA OD values to determine the best concetrations to work with?

I am developing and optimizing an ELISA and I was jsut wondering how you determine what the best concentrations of antibody and antigen are based off the OD values. I have performed checkerboard...

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MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

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03 March 2021 5,978 5 View

Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

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02 March 2021 2,431 3 View

Why are the velocities so high in my Boussinesq approximation Fluent simulation?

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How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

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Nikolaos Kourkoumelis

Hi, I wonder why would you want to do that. This page may give you some options (w/o python though) https://www.compchems.com/how-to-manage-a-trajectory-file-in-gromacs/

Shubhashree Barik

Hello Lauren,

I would suggest to use an input file which calls all the trajectory files in the python code.

I implemented the same method using Tcl scripting.

Hope it helps

Best

Shubhashree