[AMBER] CPPTRAJ cannot open RXSGLD trajectories out of the box

From: Charo del Genio <the.paraw.gmail.com>
Date: Sun, 7 Feb 2021 13:59:33 +0000

Dear all,
        it appears that CPPTRAJ is unable to open RXSGLD trajectories, as it does not recognize rxsgldtraj and rxsgldid as valid keywords. It does work, however, if I replace the keywords with remdtraj and
remtrajidx, respectively, effectively treating the trajectories as if they were T-REMD. Is this intended behaviour? If so, the manual should perhaps be updated. If not, are there any unintended
consequences in doing so?



Dr. Charo I. del Genio
Senior Lecturer in Statistical Physics
Applied Mathematics Research Centre (AMRC)
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Coventry University Technology Park
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Received on Sun Feb 07 2021 - 06:30:03 PST
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