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Author Subject Views Replies Last Post
neg neg generation radial distribution function (RDF) 42 2 46 minutes ago by neg
water water Temperature effects on the adsorption energy,  Dmol3 65 2 6 hours ago by water
neg neg MD simulation with forcite 159 5 18 hours ago by neg
yddai yddai How to export the property fields data from Mesoprop? 14 0 19 hours ago by yddai
rcdashmph rcdashmph Spatial Distribution Function 39 2 23 hours ago by rcdashmph
fouyac fouyac Vibrational calculations 60 1 23 hours ago by drsimonmiller
ckhripin ckhripin Heat of Mixing calculation 223 7 2 days ago by ckhripin
neg neg why the density goes to zero? 55 0 3 days ago by neg
waleolasunkanmi waleolasunkanmi Getting Started with MS 95 2 3 days ago by waleolasunkanmi
SJN SJN Problem in Run on Server 276 8 3 days ago by SJN
mkhademi mkhademi Running Material Studio on HPCC 106 1 4 days ago by fty881108
lcqsigi lcqsigi Coulomb Potential in GULP 70 0 5 days ago by lcqsigi
romans romans Flory-Huggins Interaction Parameter for small molecule encapsulation 209 3 6 days ago by ckhripin
tony tony how to use temperature and energy to judge the water system is equilibrium 56 0 6 days ago by tony
niveen niveen Using dipole slap correction in Optimization 130 2 1 week ago by niveen
siamcsuz siamcsuz How to construct a periodic cell of PE molecules. 134 2 1 week ago by siamcsuz
kishore guru kishore guru Applying strain rate 79 1 1 week ago by drsimonmiller
bh1215 bh1215 Displaying IR and Raman spectra of benzene 116 1 1 week ago by felix.hanke
basir basir how can is calculate rdf for cylinder structure? 69 0 1 week ago by basir
chu_cuoi chu_cuoi Running CASTEP on Materials Studio 80 0 1 week ago by chu_cuoi
MC Wang MC Wang Algorithm for amorphous carbon in MS 94 0 1 week ago by MC Wang
kasep kasep how to make a document active? 96 0 1 week ago by kasep
SJN SJN forcefield combination 134 2 1 week ago by SJN
siamcsuz siamcsuz Facing Problems to run a simple simulation 182 2 1 week ago by siamcsuz
niveen niveen smearing and DIIS values - Dmol3 290 2 1 week ago by niveen
stodd stodd Strain a system and calculate stress 4,215 10 1 week ago by kishore guru
yokemeng89 yokemeng89 Grain size measurement in MS 71 0 2 weeks ago by yokemeng89
katia katia how fix the a and b lattice parameters and free the c parameter to adjust during the NPT dynamics runs 205 2 2 weeks ago by katia
ccborshine ccborshine include functional group in the model 86 0 2 weeks ago by ccborshine
jjl jjl ClayFF consolidates into a single .off file in MS 6.0 and newer 224 2 2 weeks ago by jjl