Re: [gmx-users] g_bond No distribution... error

2008-10-21 Thread David van der Spoel
A.Rzepiela wrote: Dear Users In the gmx_bond.c maximal distance ( 2 A ) between two bonded atoms is hardcoded ( lines 137: 141) if (blen == -1) { b0 = 0; b1 = 0.2; db = (b1-b0)/MAXTAB; } so if one wants to compute distribution for CG mo

[gmx-users] g_bond No distribution... error

2008-10-21 Thread A.Rzepiela
Dear Users In the gmx_bond.c maximal distance ( 2 A ) between two bonded atoms is hardcoded ( lines 137: 141) if (blen == -1) { b0 = 0; b1 = 0.2; db = (b1-b0)/MAXTAB; } so if one wants to compute distribution for CG molecule, program cr