Ma'Mon M. Hatmal مأمون حتمل

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Questions related from Ma'Mon M. Hatmal مأمون حتمل

How I can apply random incremental pulse search (RIPS)?

Hi All, Can any one please tell me how I can apply "random incremental pulse search" (RIPS) for side chains of amino acids interacting with certain ligand. Which software (with link to the...

06 September 2016 1,369 0 View

Difficulty in writing output using FORTRAN?

Hi All, I have difficulty in writing a mix of string and string arrays by FORTRAN, for example (the following two lines): write (cout,1052) (cd(ii),ii=1+1,9),(cy(ib),ib=10,(inmt*2)) 1052 format...

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In Molecular dynamics, which ensemble is better to use: NVE or NVT?

We use different ensembles in MD, which one is preferred to use?

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In Molecular dynamics (NVE), is energy drift of about +5 Kcal/mol.ns acceptable?

In Molecular dynamics (NVE ensemble), is energy drift of about +5 Kcal/mol.ns acceptable?

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