Bhawana Gupta wrote:
hello everyone,
thankyou for your reply.
if interchanging water topolgy and position restraint position,mean that
it is being applied to water, not the molecule. Then what should i do so
that i dont get error when i put it in order of
#include "ffgmx.itp"
#include "boc.itp"
#include "spc.itp"
#include "posre.itp"
and also my molecule can restrain.
You need a [ position restraints ] section for that molecule as part of
that molecule's definition. You don't need all of your position
restraints in the same #include file. So make two different #include files.
Mark
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