Re: NAMD3 information

From: Vermaas, Josh (vermaasj_at_msu.edu)
Date: Mon Oct 18 2021 - 19:08:49 CDT

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Without CUDASOAIntegrate, this is supported, and will perform at roughly the level of the NAMD 2.14 codepath (since that’s what it is). Colvars isn't supported with CUDASOAIntegrate turned on at present.

-Josh

On 10/18/21, 6:21 PM, "owner-namd-l_at_ks.uiuc.edu on behalf of "ROPÓN-PALACIOS G."" <owner-namd-l_at_ks.uiuc.edu on behalf of biodano.geo_at_gmail.com> wrote:

    Dear users,

    I want to use NAMD3 to do SMD and umbrella sampling, is this version supported?

    Best,

    Geo.

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