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. Sorry ,but pls help me out i will change my forcefield in next one.
Bhawana
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