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Hi, An energy minimization step I converged to machine precision with the following values: Potential Energy = -5.0373220e+06 Maximum force = 1.1988365e+03 on atom 6641 Norm of force =...
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Hello everyone, I' trying to simulate a system with multiple chains. According to the PDB entry, there is a single disulfide bond connecting two of the chains. Unfortunately, 'pdb2gmx' with '-ss'...
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up from version 4.6.7 and above.
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