I altered distance restraints according to your comment into:
[ distance_restraints ]
195 281 1 1 1 0.4 0.44 0.48 1000Still get same issue that 195 and 281 even
move away from each other.
Here link to all files again, hopefully it will not be distorted.
On 3/15/17 6:28 AM, Vytautas Rakeviius wrote:
Hello, I try to add distance restraints on two TYR OH groups so that they are
together in the end like this:
[ distance_restraints ]
195 281 1 1 1 0.2 0.22 0.24 1000
But it does not work at least over time frame I tested, they even go further
Hello, I try to add distance restraints on two TYR OH groups so that they are
together in the end like this:
[ distance_restraints ]
195 281 1 1 1 0.2 0.22 0.24 1000
But it does not work at least over time frame I tested, they even go further
away from each other.
Here I share my all
