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Orsolya Gereben

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05/28/2009

12:06 PM GROMACS Bug #316: g_msd returns incorect value of self-diffusion coefficient for ngroup > 1
Narrowing the problem: I got the same bad results for CsCl in water solution if more than one group is used for the s...

11/21/2008

03:49 PM GROMACS Bug #261 (Closed): type 2 bonds with all-angle conversion makes grompp freeze
Version 4.0.2 on Intel(R) Xeon(R) CPU E5345 @ 2.33GHz and
version 3.3.3 on AMD Athlon(tm) MP 2600+.
If the bond type...

11/13/2008

04:26 PM GROMACS Bug #259 (Closed): make_ndx crashes if *.tpr is used as input
Platform: Intel(R) Xeon(R) CPU E5345 @ 2.33GHz
4.0 GROMACS installed for parallel simulation
make_ndx cra...

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