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0001-Fixes-the-Function-type-U-B-not-implemented-in-ip_pe.patch

Magnus Lundborg, 03/15/2013 04:00 PM

View differences:

src/gmxlib/topsort.c
79 79
                     ip->restraint.up2A  != ip->restraint.up2B ||
80 80
                     ip->restraint.kA    != ip->restraint.kB);
81 81
            break;
82
        case F_UREY_BRADLEY:
83
            bPert = (ip->u_b.thetaA != ip->u_b.thetaB ||
84
                     ip->u_b.kthetaA != ip->u_b.kthetaB ||
85
                     ip->u_b.r13A != ip->u_b.r13B ||
86
                     ip->u_b.kUBA != ip->u_b.kUBB);
87
            break;
82 88
        case F_PDIHS:
83 89
        case F_PIDIHS:
84 90
        case F_ANGRES:
85
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