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Threads Created | All Posts
All Posts Made By vht
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water molecules on gromacs simulation to charmm crd format
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Setup, I/O, and Basic questions
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08/13/20 03:48 PM
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Re: SCCDFTB not converged in qm/mm minimization step
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QM/MM Discussion and Questions
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08/10/20 06:06 AM
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ENDselection terminator missing
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QM/MM Discussion and Questions
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08/05/20 02:31 PM
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Re: No parameter for QM-link atom
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QM/MM Discussion and Questions
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08/05/20 06:23 AM
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No parameter for QM-link atom
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QM/MM Discussion and Questions
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08/02/20 05:27 PM
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SCCDFTB not converged in qm/mm minimization step
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QM/MM Discussion and Questions
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07/15/20 09:29 AM
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Re: QM/MM minimization error
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Minimization, Normal modes, Monte Carlo,...
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07/10/20 06:14 AM
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QM/MM minimization error
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Minimization, Normal modes, Monte Carlo,...
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07/09/20 06:40 AM
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Calculation run in GPU vrsion of charmm
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Setup, I/O, and Basic questions
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07/02/20 04:03 AM
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merging trajectories
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Setup, I/O, and Basic questions
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06/21/20 06:22 AM
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